CID 63752

21132-00-3

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CCN(CC)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)C
InChI
InChI=1S/C21H25N3O2/c1-4-22(5-2)14-20(25)24-15-23(17-12-10-16(3)11-13-17)21(26)18-8-6-7-9-19(18)24/h6-13H,4-5,14-15H2,1-3H3
InChIKey
KVNXJSXIAVOZAJ-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)acetyl]-3-(4-methylphenyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 187.0
[M+Na]+ 374.18389 192.8
[M-H]- 350.18739 192.4
[M+NH4]+ 369.22849 198.4
[M+K]+ 390.15783 188.4
[M+H-H2O]+ 334.19193 176.2
[M+HCOO]- 396.19287 204.2
[M+CH3COO]- 410.20852 222.3
[M+Na-2H]- 372.16934 188.2
[M]+ 351.19412 188.0
[M]- 351.19522 188.0
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.