CID 2909736

2-amino-1-(dimethylamino)-5-oxo-7-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Structural Information

Molecular Formula
C23H23N5O
SMILES
CN(C)N1C2=C(C(C(=C1N)C#N)C3=CN=CC=C3)C(=O)CC(C2)C4=CC=CC=C4
InChI
InChI=1S/C23H23N5O/c1-27(2)28-19-11-17(15-7-4-3-5-8-15)12-20(29)22(19)21(18(13-24)23(28)25)16-9-6-10-26-14-16/h3-10,14,17,21H,11-12,25H2,1-2H3
InChIKey
SQPJDZDZNBZELZ-UHFFFAOYSA-N
Compound name
2-amino-1-(dimethylamino)-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.19025 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.197526 198.7
[M+Na]+ 408.179468 207.1
[M-H]- 384.182974 204.0
[M+NH4]+ 403.224073 206.4
[M+K]+ 424.153408 198.3
[M+H-H2O]+ 368.187510 180.7
[M+HCOO]- 430.188451 212.2
[M+CH3COO]- 444.204101 205.1
[M+Na-2H]- 406.164916 198.5
[M]+ 385.18970142 190.0
[M]- 385.19079858 190.0
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.