CID 54594096

Methyl 4-methyl-3-{[(4-methyl-1h-imidazol-5-yl)methyl]amino}benzoate

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC1=C(C=C(C=C1)C(=O)OC)NCC2=C(NC=N2)C
InChI
InChI=1S/C14H17N3O2/c1-9-4-5-11(14(18)19-3)6-12(9)15-7-13-10(2)16-8-17-13/h4-6,8,15H,7H2,1-3H3,(H,16,17)
InChIKey
KUIZBDOPQXVKNA-UHFFFAOYSA-N
Compound name
methyl 4-methyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 160.9
[M+Na]+ 282.12130 172.4
[M+NH4]+ 277.16590 167.1
[M+K]+ 298.09524 168.6
[M-H]- 258.12480 162.8
[M+Na-2H]- 280.10675 166.8
[M]+ 259.13153 162.8
[M]- 259.13263 162.8
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.