CID 63373

B 186

Structural Information

Molecular Formula
C22H24ClN3O
SMILES
CC1=C(C=CC=C1Cl)N2C(=NC3=CC=CC=C3C2=O)CCN4CCCCC4
InChI
InChI=1S/C22H24ClN3O/c1-16-18(23)9-7-11-20(16)26-21(12-15-25-13-5-2-6-14-25)24-19-10-4-3-8-17(19)22(26)27/h3-4,7-11H,2,5-6,12-15H2,1H3
InChIKey
VRWJGKQWXVIGEE-UHFFFAOYSA-N
Compound name
3-(3-chloro-2-methylphenyl)-2-(2-piperidin-1-ylethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1608 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16808 194.6
[M+Na]+ 404.15002 202.5
[M-H]- 380.15352 199.8
[M+NH4]+ 399.19462 203.6
[M+K]+ 420.12396 193.8
[M+H-H2O]+ 364.15806 182.0
[M+HCOO]- 426.15900 204.1
[M+CH3COO]- 440.17465 202.6
[M+Na-2H]- 402.13547 196.1
[M]+ 381.16025 194.0
[M]- 381.16135 194.0
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.