CID 394888

Nsc698979

Structural Information

Molecular Formula
C22H21BrN4O
SMILES
C1CCC(CC1)NC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C22H21BrN4O/c23-14-10-11-19-16(12-14)21-22(26-18-9-5-4-8-17(18)25-21)27(19)13-20(28)24-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,24,28)
InChIKey
JDKVNGJJWPSNIS-UHFFFAOYSA-N
Compound name
2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.08987 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.09715 196.5
[M+Na]+ 459.07909 206.6
[M-H]- 435.08259 204.0
[M+NH4]+ 454.12369 209.9
[M+K]+ 475.05303 193.1
[M+H-H2O]+ 419.08713 192.6
[M+HCOO]- 481.08807 210.5
[M+CH3COO]- 495.10372 206.6
[M+Na-2H]- 457.06454 201.9
[M]+ 436.08932 214.3
[M]- 436.09042 214.3
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.