CID 135626581

Schembl10375050

Structural Information

Molecular Formula
C25H28N4O5
SMILES
CC(N(CC1=CC=CC=C1)C(=O)CCCOC2=CC3=C(C=C2)N=C4NC(=O)CN4C3)OC(=O)C
InChI
InChI=1S/C25H28N4O5/c1-17(34-18(2)30)29(14-19-7-4-3-5-8-19)24(32)9-6-12-33-21-10-11-22-20(13-21)15-28-16-23(31)27-25(28)26-22/h3-5,7-8,10-11,13,17H,6,9,12,14-16H2,1-2H3,(H,26,27,31)
InChIKey
LZNLAFXEEDBVKY-UHFFFAOYSA-N
Compound name
1-[benzyl-[4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanoyl]amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

464.20596 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.21324 209.3
[M+Na]+ 487.19518 218.2
[M+NH4]+ 482.23978 212.9
[M+K]+ 503.16912 215.6
[M-H]- 463.19868 210.0
[M+Na-2H]- 485.18063 211.4
[M]+ 464.20541 210.2
[M]- 464.20651 210.2
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

patents stripe