CID 135658995

N'-(5-br-2-ho-benzylidene)3(1,2,3,4-tetrahydro-9h-carbazol-9-yl)propanohydrazide

Structural Information

Molecular Formula
C22H22BrN3O2
SMILES
C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)N/N=C/C4=C(C=CC(=C4)Br)O
InChI
InChI=1S/C22H22BrN3O2/c23-16-9-10-21(27)15(13-16)14-24-25-22(28)11-12-26-19-7-3-1-5-17(19)18-6-2-4-8-20(18)26/h1,3,5,7,9-10,13-14,27H,2,4,6,8,11-12H2,(H,25,28)/b24-14+
InChIKey
ZFOBARJSAHLMOE-ZVHZXABRSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.08954 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.09682 197.8
[M+Na]+ 462.07876 206.3
[M-H]- 438.08226 206.6
[M+NH4]+ 457.12336 212.6
[M+K]+ 478.05270 193.0
[M+H-H2O]+ 422.08680 194.5
[M+HCOO]- 484.08774 216.0
[M+CH3COO]- 498.10339 208.3
[M+Na-2H]- 460.06421 201.5
[M]+ 439.08899 216.0
[M]- 439.09009 216.0
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.