CID 2907787

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

Structural Information

Molecular Formula
C19H23N5O
SMILES
CC1(CC2=C(C(C(=C(N2N(C)C)N)C#N)C3=CN=CC=C3)C(=O)C1)C
InChI
InChI=1S/C19H23N5O/c1-19(2)8-14-17(15(25)9-19)16(12-6-5-7-22-11-12)13(10-20)18(21)24(14)23(3)4/h5-7,11,16H,8-9,21H2,1-4H3
InChIKey
JSNSUHXPKBLWLK-UHFFFAOYSA-N
Compound name
2-amino-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

337.19025 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.197526 183.3
[M+Na]+ 360.179468 193.1
[M-H]- 336.182974 187.2
[M+NH4]+ 355.224073 195.6
[M+K]+ 376.153408 186.6
[M+H-H2O]+ 320.187510 167.6
[M+HCOO]- 382.188451 197.3
[M+CH3COO]- 396.204101 230.8
[M+Na-2H]- 358.164916 184.3
[M]+ 337.18970142 176.4
[M]- 337.19079858 176.4
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

No patent data available for this compound.