CID 3025156

102207-80-7

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCCNC3=CC=CC=C3
InChI
InChI=1S/C20H21N3O3/c1-14-17(18(23-20(25)22-14)15-8-4-2-5-9-15)19(24)26-13-12-21-16-10-6-3-7-11-16/h2-11,18,21H,12-13H2,1H3,(H2,22,23,25)
InChIKey
GONLRMKWWVKHAN-UHFFFAOYSA-N
Compound name
2-anilinoethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 184.0
[M+Na]+ 374.147518 188.1
[M-H]- 350.151024 187.6
[M+NH4]+ 369.192123 191.6
[M+K]+ 390.121458 181.6
[M+H-H2O]+ 334.155560 173.2
[M+HCOO]- 396.156501 200.0
[M+CH3COO]- 410.172151 210.8
[M+Na-2H]- 372.132966 185.9
[M]+ 351.15775142 179.5
[M]- 351.15884858 179.5
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.