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]+ 352.16558 184.0
[M+Na]+ 374.14752 188.1
[M-H]- 350.15102 187.6
[M+NH4]+ 369.19212 191.6
[M+K]+ 390.12146 181.6
[M+H-H2O]+ 334.15556 173.2
[M+HCOO]- 396.15650 200.0
[M+CH3COO]- 410.17215 210.8
[M+Na-2H]- 372.13297 185.9
[M]+ 351.15775 179.5
[M]- 351.15885 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.