PubChemLite - 63722-90-7 (C32H39NO4)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=CC2=C(C=C1)NC3=C2CC4C3(C5(CCC67C(=CC(=O)C(O6)C(O7)(C)C)C5(CC4)O)C)C)C

InChI

InChI=1S/C32H39NO4/c1-18(2)7-8-19-9-10-23-21(15-19)22-16-20-11-12-31(35)25-17-24(34)27-28(3,4)37-32(25,36-27)14-13-29(31,5)30(20,6)26(22)33-23/h7,9-10,15,17,20,27,33,35H,8,11-14,16H2,1-6H3

InChIKey

WCISYVSWAOUFIY-UHFFFAOYSA-N

Compound name

19-hydroxy-4,5,24,24-tetramethyl-11-(3-methylbut-2-enyl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8(13),9,11,20-pentaen-22-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]+	502.29518	217.9
[M+Na]+	524.27712	226.5
[M+NH4]+	519.32172	232.2
[M+K]+	540.25106	216.4
[M-H]-	500.28062	221.1
[M+Na-2H]-	522.26257	217.9
[M]+	501.28735	220.8
[M]-	501.28845	220.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.29518

217.9

[M+Na]+

524.27712

226.5

[M+NH4]+

519.32172

232.2

[M+K]+

540.25106

216.4

[M-H]-

500.28062

221.1

[M+Na-2H]-

522.26257

217.9

[M]+

501.28735

220.8

[M]-

501.28845

220.8

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

63722-90-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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