CID 394894

Nsc698985

Structural Information

Molecular Formula
C23H23BrN6O2
SMILES
C1CCC(CC1)NC(=O)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42
InChI
InChI=1S/C23H23BrN6O2/c24-14-10-11-19-16(12-14)21-22(27-18-9-5-4-8-17(18)26-21)30(19)13-20(31)28-29-23(32)25-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,28,31)(H2,25,29,32)
InChIKey
WYTGXEYOXLDKQZ-UHFFFAOYSA-N
Compound name
1-[[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.1066 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.11388 202.1
[M+Na]+ 517.09582 209.4
[M-H]- 493.09932 209.3
[M+NH4]+ 512.14042 212.4
[M+K]+ 533.06976 196.6
[M+H-H2O]+ 477.10386 197.3
[M+HCOO]- 539.10480 217.1
[M+CH3COO]- 553.12045 210.7
[M+Na-2H]- 515.08127 208.6
[M]+ 494.10605 218.9
[M]- 494.10715 218.9
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.