CID 63742

17617-13-9

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCN(CC)CCN1C(N(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C
InChI
InChI=1S/C21H27N3O/c1-4-22(5-2)15-16-23-17(3)24(18-11-7-6-8-12-18)21(25)19-13-9-10-14-20(19)23/h6-14,17H,4-5,15-16H2,1-3H3
InChIKey
IUOFNTRNTWZGEJ-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-2-methyl-3-phenyl-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.21542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 185.2
[M+Na]+ 360.20464 191.1
[M-H]- 336.20814 190.4
[M+NH4]+ 355.24924 197.4
[M+K]+ 376.17858 186.1
[M+H-H2O]+ 320.21268 174.3
[M+HCOO]- 382.21362 203.1
[M+CH3COO]- 396.22927 220.7
[M+Na-2H]- 358.19009 187.4
[M]+ 337.21487 186.2
[M]- 337.21597 186.2
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