CID 17487

2619-08-1

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)C)N2C(=NC3=CC=CC=C3C2=O)C
InChI
InChI=1S/C23H27N3O3/c1-5-25(6-2)13-14-29-23(28)19-12-11-16(3)15-21(19)26-17(4)24-20-10-8-7-9-18(20)22(26)27/h7-12,15H,5-6,13-14H2,1-4H3
InChIKey
NIMADCDHIPLXIR-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 196.5
[M+Na]+ 416.19445 211.2
[M+NH4]+ 411.23905 202.5
[M+K]+ 432.16839 203.4
[M-H]- 392.19795 200.5
[M+Na-2H]- 414.17990 203.3
[M]+ 393.20468 199.8
[M]- 393.20578 199.8
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

No patent data available for this compound.