CID 63209

16711-39-0

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CC1N(C(=O)C2=CC=CC=C2N1C(=O)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c1-17-24(18-10-4-2-5-11-18)22(27)19-12-6-7-13-20(19)25(17)21(26)16-23-14-8-3-9-15-23/h2,4-7,10-13,17H,3,8-9,14-16H2,1H3
InChIKey
UWXRDLYGKPXGKU-UHFFFAOYSA-N
Compound name
2-methyl-3-phenyl-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 191.3
[M+Na]+ 386.18389 195.5
[M-H]- 362.18739 196.0
[M+NH4]+ 381.22849 199.5
[M+K]+ 402.15783 189.1
[M+H-H2O]+ 346.19193 178.6
[M+HCOO]- 408.19287 202.1
[M+CH3COO]- 422.20852 198.3
[M+Na-2H]- 384.16934 191.2
[M]+ 363.19412 185.4
[M]- 363.19522 185.4
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.