CID 5274538

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

Structural Information

Molecular Formula
C18H15N3O3
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H15N3O3/c1-19-15-5-3-2-4-14(15)18-16(19)10-11-17(22)20(18)12-6-8-13(9-7-12)21(23)24/h2-11,16,18H,1H3
InChIKey
HVMOMOIXEQTSJO-UHFFFAOYSA-N
Compound name
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

321.11133 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11861 173.8
[M+Na]+ 344.10055 181.3
[M-H]- 320.10405 179.9
[M+NH4]+ 339.14515 188.0
[M+K]+ 360.07449 171.8
[M+H-H2O]+ 304.10859 168.8
[M+HCOO]- 366.10953 192.5
[M+CH3COO]- 380.12518 204.0
[M+Na-2H]- 342.08600 179.1
[M]+ 321.11078 171.6
[M]- 321.11188 171.6
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.