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]+ 438.20235 205.5
[M+Na]+ 460.18429 212.3
[M-H]- 436.18779 212.5
[M+NH4]+ 455.22889 213.1
[M+K]+ 476.15823 208.3
[M+H-H2O]+ 420.19233 194.1
[M+HCOO]- 482.19327 220.2
[M+CH3COO]- 496.20892 231.3
[M+Na-2H]- 458.16974 202.6
[M]+ 437.19452 210.0
[M]- 437.19562 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.