CID 394889

Nsc698980

Structural Information

Molecular Formula
C16H12BrN5O
SMILES
C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)CC(=O)NN
InChI
InChI=1S/C16H12BrN5O/c17-9-5-6-13-10(7-9)15-16(22(13)8-14(23)21-18)20-12-4-2-1-3-11(12)19-15/h1-7H,8,18H2,(H,21,23)
InChIKey
UZPDJKAJPWLMRR-UHFFFAOYSA-N
Compound name
2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.02252 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.02980 174.0
[M+Na]+ 392.01174 187.9
[M-H]- 368.01524 179.9
[M+NH4]+ 387.05634 190.5
[M+K]+ 407.98568 174.5
[M+H-H2O]+ 352.01978 171.3
[M+HCOO]- 414.02072 193.5
[M+CH3COO]- 428.03637 186.9
[M+Na-2H]- 389.99719 183.5
[M]+ 369.02197 195.2
[M]- 369.02307 195.2
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.