CID 63443

34963-48-9

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCN(CC)CCN1C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3C)C
InChI
InChI=1S/C22H29N3O/c1-5-23(6-2)15-16-24-18(4)25(20-13-9-7-11-17(20)3)22(26)19-12-8-10-14-21(19)24/h7-14,18H,5-6,15-16H2,1-4H3
InChIKey
GDBVGUOKUIDFKS-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-2-methyl-3-(2-methylphenyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.23105 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 190.1
[M+Na]+ 374.22027 196.5
[M-H]- 350.22377 195.5
[M+NH4]+ 369.26487 202.0
[M+K]+ 390.19421 191.3
[M+H-H2O]+ 334.22831 179.2
[M+HCOO]- 396.22925 207.6
[M+CH3COO]- 410.24490 224.8
[M+Na-2H]- 372.20572 191.0
[M]+ 351.23050 191.8
[M]- 351.23160 191.8
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

patents stripe