CID 755493

Indopy-1

Structural Information

Molecular Formula
C19H12N4O3
SMILES
CN1C2=CC=CC=C2C3=C1C=C(C(=O)N3C4=CC=C(C=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3
InChIKey
TZEXGCXFOXXFKH-UHFFFAOYSA-N
Compound name
5-methyl-1-(4-nitrophenyl)-2-oxopyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

110
Patents

344.09094 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09822 181.2
[M+Na]+ 367.08016 197.7
[M+NH4]+ 362.12476 185.5
[M+K]+ 383.05410 190.1
[M-H]- 343.08366 179.1
[M+Na-2H]- 365.06561 185.5
[M]+ 344.09039 182.2
[M]- 344.09149 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe