CID 145955

88939-96-2

Structural Information

Molecular Formula
C23H25N5O2
SMILES
CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCCCN4C=CN=C4
InChI
InChI=1S/C23H25N5O2/c1-16(2)17-5-7-20-19(13-17)23(30)28-14-18(6-8-21(28)26-20)22(29)25-9-3-4-11-27-12-10-24-15-27/h5-8,10,12-16H,3-4,9,11H2,1-2H3,(H,25,29)
InChIKey
DBIWUPNGRCQSCK-UHFFFAOYSA-N
Compound name
N-(4-imidazol-1-ylbutyl)-11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

403.20084 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.20812 198.1
[M+Na]+ 426.19006 212.6
[M+NH4]+ 421.23466 203.6
[M+K]+ 442.16400 206.7
[M-H]- 402.19356 200.9
[M+Na-2H]- 424.17551 204.3
[M]+ 403.20029 200.9
[M]- 403.20139 200.9
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