CID 5274539

3-bromo-5-methyl-1-(4-nitrophenyl)-4a,9b-dihydropyrido[3,2-b]indol-2-one

Structural Information

Molecular Formula
C18H14BrN3O3
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])Br
InChI
InChI=1S/C18H14BrN3O3/c1-20-15-5-3-2-4-13(15)17-16(20)10-14(19)18(23)21(17)11-6-8-12(9-7-11)22(24)25/h2-10,16-17H,1H3
InChIKey
TZONZZMXZWBFQB-UHFFFAOYSA-N
Compound name
3-bromo-5-methyl-1-(4-nitrophenyl)-4a,9b-dihydropyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.02185 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.02913 188.3
[M+Na]+ 422.01107 198.8
[M-H]- 398.01457 196.9
[M+NH4]+ 417.05567 203.4
[M+K]+ 437.98501 182.7
[M+H-H2O]+ 382.01911 189.8
[M+HCOO]- 444.02005 204.7
[M+CH3COO]- 458.03570 213.4
[M+Na-2H]- 419.99652 193.3
[M]+ 399.02130 205.7
[M]- 399.02240 205.7
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.