PubChemLite - 442652-38-2 (C30H32FNO3)

Structural Information

Molecular Formula

SMILES

CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC(=CC=C4)OCC5=CC=C(C=C5)F)C(=O)C1)C

InChI

InChI=1S/C30H32FNO3/c1-29(2)13-22-27(24(33)15-29)26(28-23(32-22)14-30(3,4)16-25(28)34)19-6-5-7-21(12-19)35-17-18-8-10-20(31)11-9-18/h5-12,26,32H,13-17H2,1-4H3

InChIKey

LMMVDMRBAQUWFT-UHFFFAOYSA-N

Compound name

9-[3-[(4-fluorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	474.24391	220.6
[M+Na]+	496.22585	228.0
[M-H]-	472.22935	227.0
[M+NH4]+	491.27045	232.1
[M+K]+	512.19979	220.2
[M+H-H2O]+	456.23389	207.1
[M+HCOO]-	518.23483	229.1
[M+CH3COO]-	532.25048	226.8
[M+Na-2H]-	494.21130	218.5
[M]+	473.23608	216.6
[M]-	473.23718	216.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.24391

220.6

[M+Na]+

496.22585

228.0

[M-H]-

472.22935

227.0

[M+NH4]+

491.27045

232.1

[M+K]+

512.19979

220.2

[M+H-H2O]+

456.23389

207.1

[M+HCOO]-

518.23483

229.1

[M+CH3COO]-

532.25048

226.8

[M+Na-2H]-

494.21130

218.5

[M]+

473.23608

216.6

[M]-

473.23718

216.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

442652-38-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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