CID 17485

2-metil-3-(2-carbossietildietilammino-6-metil-fenil)-4-chinazolone cloridrate [italian]

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CCN(CC)CCOC(=O)C1=CC=CC(=C1N2C(=NC3=CC=CC=C3C2=O)C)C
InChI
InChI=1S/C23H27N3O3/c1-5-25(6-2)14-15-29-23(28)19-12-9-10-16(3)21(19)26-17(4)24-20-13-8-7-11-18(20)22(26)27/h7-13H,5-6,14-15H2,1-4H3
InChIKey
XXTPEBWELRPMGA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-methyl-2-(2-methyl-4-oxoquinazolin-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.20523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 198.0
[M+Na]+ 416.19445 205.5
[M-H]- 392.19795 204.2
[M+NH4]+ 411.23905 208.0
[M+K]+ 432.16839 201.2
[M+H-H2O]+ 376.20249 186.8
[M+HCOO]- 438.20343 217.5
[M+CH3COO]- 452.21908 230.9
[M+Na-2H]- 414.17990 199.4
[M]+ 393.20468 204.3
[M]- 393.20578 204.3
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.