PubChemLite - 55250-84-5 (C34H32N2O3)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1NC3=CC=CC=C3)C4(C5=C(O2)C=C(C=C5)N(C)C6CCCCC6)C7=CC=CC=C7C(=O)O4

InChI

InChI=1S/C34H32N2O3/c1-22-19-31-29(21-30(22)35-23-11-5-3-6-12-23)34(27-16-10-9-15-26(27)33(37)39-34)28-18-17-25(20-32(28)38-31)36(2)24-13-7-4-8-14-24/h3,5-6,9-12,15-21,24,35H,4,7-8,13-14H2,1-2H3

InChIKey

CEGHCPGGKKWOKF-UHFFFAOYSA-N

Compound name

2'-anilino-6'-[cyclohexyl(methyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

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]+	517.24858	230.0
[M+Na]+	539.23052	245.8
[M+NH4]+	534.27512	240.8
[M+K]+	555.20446	234.9
[M-H]-	515.23402	243.6
[M+Na-2H]-	537.21597	237.7
[M]+	516.24075	236.6
[M]-	516.24185	236.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.24858

230.0

[M+Na]+

539.23052

245.8

[M+NH4]+

534.27512

240.8

[M+K]+

555.20446

234.9

[M-H]-

515.23402

243.6

[M+Na-2H]-

537.21597

237.7

[M]+

516.24075

236.6

[M]-

516.24185

236.6

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

55250-84-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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