CID 2809619

Hms1662j14

Structural Information

Molecular Formula
C18H19F3N4O5
SMILES
CN(C)C1=NC=C(C(=N1)C(F)(F)F)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC
InChI
InChI=1S/C18H19F3N4O5/c1-25(2)17-22-8-10(14(24-17)18(19,20)21)15(26)23-11-7-13(29-4)12(28-3)6-9(11)16(27)30-5/h6-8H,1-5H3,(H,23,26)
InChIKey
IYHKECFIUFCWQT-UHFFFAOYSA-N
Compound name
methyl 2-[[2-(dimethylamino)-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]-4,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

428.13077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13805 196.3
[M+Na]+ 451.11999 204.0
[M-H]- 427.12349 198.8
[M+NH4]+ 446.16459 203.7
[M+K]+ 467.09393 202.7
[M+H-H2O]+ 411.12803 183.8
[M+HCOO]- 473.12897 213.7
[M+CH3COO]- 487.14462 235.9
[M+Na-2H]- 449.10544 196.5
[M]+ 428.13022 199.9
[M]- 428.13132 199.9
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.