CID 3068408

83409-10-3

Structural Information

Molecular Formula
C24H27N3O5
SMILES
CC(C(=O)N1CCCC1)N2C(=NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H27N3O5/c1-15(23(28)26-11-7-8-12-26)27-22(25-18-10-6-5-9-17(18)24(27)29)16-13-19(30-2)21(32-4)20(14-16)31-3/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3
InChIKey
XVRFKKDUBCRARP-UHFFFAOYSA-N
Compound name
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.19507 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.202346 205.5
[M+Na]+ 460.184288 212.3
[M-H]- 436.187794 212.5
[M+NH4]+ 455.228893 213.1
[M+K]+ 476.158228 208.3
[M+H-H2O]+ 420.192330 194.1
[M+HCOO]- 482.193271 220.2
[M+CH3COO]- 496.208921 231.3
[M+Na-2H]- 458.169736 202.6
[M]+ 437.19452142 210.0
[M]- 437.19561858 210.0
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.