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]+ 391.176476 189.0
[M+Na]+ 413.158418 192.3
[M-H]- 389.161924 196.5
[M+NH4]+ 408.203023 201.0
[M+K]+ 429.132358 183.1
[M+H-H2O]+ 373.166460 183.1
[M+HCOO]- 435.167401 211.7
[M+CH3COO]- 449.183051 221.3
[M+Na-2H]- 411.143866 195.5
[M]+ 390.16865142 187.3
[M]- 390.16974858 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.