CID 135566974

7-[(3s,4r)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3h-quinazolin-4-one

Structural Information

Molecular Formula
C19H16ClN3O2
SMILES
C1[C@@H]([C@H](CN1)C(=O)C2=CC(=CC=C2)Cl)C3=CC4=C(C=C3)C(=O)NC=N4
InChI
InChI=1S/C19H16ClN3O2/c20-13-3-1-2-12(6-13)18(24)16-9-21-8-15(16)11-4-5-14-17(7-11)22-10-23-19(14)25/h1-7,10,15-16,21H,8-9H2,(H,22,23,25)/t15-,16+/m1/s1
InChIKey
SWYGPPMJBPTZSH-CVEARBPZSA-N
Compound name
7-[(3S,4R)-4-(3-chlorobenzoyl)pyrrolidin-3-yl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0931 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10038 181.5
[M+Na]+ 376.08232 196.9
[M+NH4]+ 371.12692 188.6
[M+K]+ 392.05626 190.6
[M-H]- 352.08582 185.3
[M+Na-2H]- 374.06777 188.8
[M]+ 353.09255 185.0
[M]- 353.09365 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.