CID 5274554

Schembl13505320

Structural Information

Molecular Formula
C19H16N4O
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)N)C#N
InChI
InChI=1S/C19H16N4O/c1-22-16-5-3-2-4-15(16)18-17(22)10-12(11-20)19(24)23(18)14-8-6-13(21)7-9-14/h2-10,17-18H,21H2,1H3
InChIKey
KARLTMVCUHRQGW-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.13242 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 179.2
[M+Na]+ 339.12164 191.2
[M-H]- 315.12514 182.9
[M+NH4]+ 334.16624 192.6
[M+K]+ 355.09558 181.1
[M+H-H2O]+ 299.12968 163.7
[M+HCOO]- 361.13062 193.6
[M+CH3COO]- 375.14627 188.0
[M+Na-2H]- 337.10709 180.0
[M]+ 316.13187 172.3
[M]- 316.13297 172.3
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