CID 5274544

Schembl14403172

Structural Information

Molecular Formula
C19H16N4O4
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C19H16N4O4/c1-21-15-5-3-2-4-13(15)17-16(21)10-14(18(20)24)19(25)22(17)11-6-8-12(9-7-11)23(26)27/h2-10,16-17H,1H3,(H2,20,24)
InChIKey
YIPMCLSEAIXRHF-UHFFFAOYSA-N
Compound name
5-methyl-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.11716 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12444 182.5
[M+Na]+ 387.10638 189.1
[M-H]- 363.10988 188.4
[M+NH4]+ 382.15098 194.3
[M+K]+ 403.08032 180.0
[M+H-H2O]+ 347.11442 177.8
[M+HCOO]- 409.11536 200.6
[M+CH3COO]- 423.13101 214.6
[M+Na-2H]- 385.09183 186.1
[M]+ 364.11661 179.7
[M]- 364.11771 179.7
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

patents stripe