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]+ 382.168076 194.6
[M+Na]+ 404.150018 202.5
[M-H]- 380.153524 199.8
[M+NH4]+ 399.194623 203.6
[M+K]+ 420.123958 193.8
[M+H-H2O]+ 364.158060 182.0
[M+HCOO]- 426.159001 204.1
[M+CH3COO]- 440.174651 202.6
[M+Na-2H]- 402.135466 196.1
[M]+ 381.16025142 194.0
[M]- 381.16134858 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.