CID 374581

Nsc652554

Structural Information

Molecular Formula
C17H13BrN2O
SMILES
CC1=C2C(=O)C=CNC2=C(C3=C1NC4=C3C=C(C=C4)Br)C
InChI
InChI=1S/C17H13BrN2O/c1-8-14-11-7-10(18)3-4-12(11)20-17(14)9(2)15-13(21)5-6-19-16(8)15/h3-7,20H,1-2H3,(H,19,21)
InChIKey
GAZAHJWSYHZFJY-UHFFFAOYSA-N
Compound name
9-bromo-5,11-dimethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.02112 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.02840 172.6
[M+Na]+ 363.01034 189.1
[M-H]- 339.01384 178.4
[M+NH4]+ 358.05494 191.8
[M+K]+ 378.98428 174.3
[M+H-H2O]+ 323.01838 172.2
[M+HCOO]- 385.01932 189.7
[M+CH3COO]- 399.03497 186.4
[M+Na-2H]- 360.99579 179.6
[M]+ 340.02057 193.8
[M]- 340.02167 193.8
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.