CID 136503673

3,4-dichloro-n-(2-(2-(1h-indol-3-ylmethylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C18H14Cl2N4O2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl2N4O2/c19-14-6-5-11(7-15(14)20)18(26)22-10-17(25)24-23-9-12-8-21-16-4-2-1-3-13(12)16/h1-9,21H,10H2,(H,22,26)(H,24,25)/b23-9+
InChIKey
HNUXESUMJGUWLX-NUGSKGIGSA-N
Compound name
3,4-dichloro-N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.04938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05666 188.6
[M+Na]+ 411.03860 197.1
[M-H]- 387.04210 194.7
[M+NH4]+ 406.08320 202.0
[M+K]+ 427.01254 189.4
[M+H-H2O]+ 371.04664 180.9
[M+HCOO]- 433.04758 204.6
[M+CH3COO]- 447.06323 221.7
[M+Na-2H]- 409.02405 191.8
[M]+ 388.04883 192.9
[M]- 388.04993 192.9
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.