CID 5274524

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

Structural Information

Molecular Formula
C20H14N4O
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C#N)C#N
InChI
InChI=1S/C20H14N4O/c1-23-17-5-3-2-4-16(17)19-18(23)10-14(12-22)20(25)24(19)15-8-6-13(11-21)7-9-15/h2-10,18-19H,1H3
InChIKey
UECQLRAJZBJNGR-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-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

0
Patents

326.11676 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12404 183.3
[M+Na]+ 349.10598 195.5
[M-H]- 325.10948 185.9
[M+NH4]+ 344.15058 192.8
[M+K]+ 365.07992 184.1
[M+H-H2O]+ 309.11402 165.6
[M+HCOO]- 371.11496 191.2
[M+CH3COO]- 385.13061 188.6
[M+Na-2H]- 347.09143 182.1
[M]+ 326.11621 174.6
[M]- 326.11731 174.6
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.