CID 2878695

N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide

Structural Information

Molecular Formula
C17H17N3O3S
SMILES
CC1=C(C(NC(=O)N1)C2=CC=CS2)C(=O)NC3=CC=CC=C3OC
InChI
InChI=1S/C17H17N3O3S/c1-10-14(15(20-17(22)18-10)13-8-5-9-24-13)16(21)19-11-6-3-4-7-12(11)23-2/h3-9,15H,1-2H3,(H,19,21)(H2,18,20,22)
InChIKey
AENRSXKKRGFHAP-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

343.09906 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10634 178.6
[M+Na]+ 366.08828 185.3
[M-H]- 342.09178 183.6
[M+NH4]+ 361.13288 189.8
[M+K]+ 382.06222 178.9
[M+H-H2O]+ 326.09632 170.4
[M+HCOO]- 388.09726 191.8
[M+CH3COO]- 402.11291 206.4
[M+Na-2H]- 364.07373 176.6
[M]+ 343.09851 177.1
[M]- 343.09961 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.