CID 3075696

197635-32-8

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC1=NCCN1CCOC2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C14H18N2O3/c1-11-15-7-8-16(11)9-10-19-13-5-3-12(4-6-13)14(17)18-2/h3-6H,7-10H2,1-2H3
InChIKey
CSMQRNWFBTUCPH-UHFFFAOYSA-N
Compound name
methyl 4-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 160.0
[M+Na]+ 285.120958 167.1
[M-H]- 261.124464 164.0
[M+NH4]+ 280.165563 175.7
[M+K]+ 301.094898 165.0
[M+H-H2O]+ 245.129000 151.3
[M+HCOO]- 307.129941 180.9
[M+CH3COO]- 321.145591 195.3
[M+Na-2H]- 283.106406 161.9
[M]+ 262.13119142 163.1
[M]- 262.13228858 163.1
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.