CID 20836283

93940-31-9

Structural Information

Molecular Formula
C23H35NO3
SMILES
CC/C=C\CCOC(=O)C1=CC=CC=C1N=CCC(C)CCCC(C)(C)O
InChI
InChI=1S/C23H35NO3/c1-5-6-7-10-18-27-22(25)20-13-8-9-14-21(20)24-17-15-19(2)12-11-16-23(3,4)26/h6-9,13-14,17,19,26H,5,10-12,15-16,18H2,1-4H3/b7-6-,24-17?
InChIKey
YSEJJZAIYYXXRI-GLLGPOMSSA-N
Compound name
[(Z)-hex-3-enyl] 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2617 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.26898 198.0
[M+Na]+ 396.25092 200.3
[M-H]- 372.25442 199.8
[M+NH4]+ 391.29552 209.9
[M+K]+ 412.22486 196.3
[M+H-H2O]+ 356.25896 190.1
[M+HCOO]- 418.25990 216.6
[M+CH3COO]- 432.27555 222.9
[M+Na-2H]- 394.23637 196.9
[M]+ 373.26115 202.9
[M]- 373.26225 202.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.