CID 136503668

881403-21-0

Structural Information

Molecular Formula
C18H15BrN4O2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H15BrN4O2/c19-14-5-3-4-12(8-14)18(25)21-11-17(24)23-22-10-13-9-20-16-7-2-1-6-15(13)16/h1-10,20H,11H2,(H,21,25)(H,23,24)/b22-10+
InChIKey
MUVZXXZYWDKVHW-LSHDLFTRSA-N
Compound name
3-bromo-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

398.03784 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.04512 182.5
[M+Na]+ 421.02706 191.0
[M-H]- 397.03056 191.1
[M+NH4]+ 416.07166 197.3
[M+K]+ 437.00100 177.8
[M+H-H2O]+ 381.03510 178.7
[M+HCOO]- 443.03604 205.2
[M+CH3COO]- 457.05169 220.6
[M+Na-2H]- 419.01251 188.4
[M]+ 398.03729 200.6
[M]- 398.03839 200.6
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.