CID 5521612

343358-04-3

Structural Information

Molecular Formula
C25H25N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N\NC(=O)CCN2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C25H25N3O4/c1-30-22-14-17(15-23(31-2)25(22)32-3)16-26-27-24(29)12-13-28-20-10-6-4-8-18(20)19-9-5-7-11-21(19)28/h4-11,14-16H,12-13H2,1-3H3,(H,27,29)/b26-16-
InChIKey
HRFJQIOKKUYKAI-QQXSKIMKSA-N
Compound name
3-carbazol-9-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1845 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.19178 204.3
[M+Na]+ 454.17372 212.0
[M-H]- 430.17722 213.2
[M+NH4]+ 449.21832 216.5
[M+K]+ 470.14766 207.5
[M+H-H2O]+ 414.18176 193.7
[M+HCOO]- 476.18270 228.5
[M+CH3COO]- 490.19835 237.0
[M+Na-2H]- 452.15917 207.9
[M]+ 431.18395 212.9
[M]- 431.18505 212.9
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.