CID 6888436

N'-(3-nitrobenzylidene)-3-(1,2,3,4-tetrahydro-9h-carbazol-9-yl)propanohydrazide

Structural Information

Molecular Formula
C22H22N4O3
SMILES
C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)N/N=C/C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H22N4O3/c27-22(24-23-15-16-6-5-7-17(14-16)26(28)29)12-13-25-20-10-3-1-8-18(20)19-9-2-4-11-21(19)25/h1,3,5-8,10,14-15H,2,4,9,11-13H2,(H,24,27)/b23-15+
InChIKey
OOCNGMULJQGFJD-HZHRSRAPSA-N
Compound name
N-[(E)-(3-nitrophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1692 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17648 189.0
[M+Na]+ 413.15842 192.3
[M-H]- 389.16192 196.5
[M+NH4]+ 408.20302 201.0
[M+K]+ 429.13236 183.1
[M+H-H2O]+ 373.16646 183.1
[M+HCOO]- 435.16740 211.7
[M+CH3COO]- 449.18305 221.3
[M+Na-2H]- 411.14387 195.5
[M]+ 390.16865 187.3
[M]- 390.16975 187.3
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.