CID 13557460

11h-pyrido(2,1-b)quinazoline-8-carboxamide, 2-(1-methylethyl)-11-oxo-n-(4-(3-pyridinyl)butyl)-, dihydrochloride

Structural Information

Molecular Formula
C25H26N4O2
SMILES
CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCCCC4=CN=CC=C4
InChI
InChI=1S/C25H26N4O2/c1-17(2)19-8-10-22-21(14-19)25(31)29-16-20(9-11-23(29)28-22)24(30)27-13-4-3-6-18-7-5-12-26-15-18/h5,7-12,14-17H,3-4,6,13H2,1-2H3,(H,27,30)
InChIKey
LKFAYNBLUNPUHN-UHFFFAOYSA-N
Compound name
11-oxo-2-propan-2-yl-N-(4-pyridin-3-ylbutyl)pyrido[2,1-b]quinazoline-8-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

414.20557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21285 203.9
[M+Na]+ 437.19479 211.4
[M-H]- 413.19829 208.0
[M+NH4]+ 432.23939 211.4
[M+K]+ 453.16873 203.9
[M+H-H2O]+ 397.20283 191.4
[M+HCOO]- 459.20377 220.5
[M+CH3COO]- 473.21942 211.6
[M+Na-2H]- 435.18024 208.8
[M]+ 414.20502 207.5
[M]- 414.20612 207.5
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