CID 5274521

5-methyl-1-(3-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C19H14N4O3
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC(=CC=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C19H14N4O3/c1-21-16-8-3-2-7-15(16)18-17(21)9-12(11-20)19(24)22(18)13-5-4-6-14(10-13)23(25)26/h2-10,17-18H,1H3
InChIKey
LRCGRYAVHZRLRS-UHFFFAOYSA-N
Compound name
5-methyl-1-(3-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1066 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11388 187.1
[M+Na]+ 369.09582 197.1
[M-H]- 345.09932 190.9
[M+NH4]+ 364.14042 198.4
[M+K]+ 385.06976 184.4
[M+H-H2O]+ 329.10386 175.1
[M+HCOO]- 391.10480 201.5
[M+CH3COO]- 405.12045 218.5
[M+Na-2H]- 367.08127 189.8
[M]+ 346.10605 180.0
[M]- 346.10715 180.0
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.