CID 21000

Carbanilic acid, p-methyl-, 4-pyridylmethyl ester

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=CC=C(C=C1)NC(=O)OCC2=CC=NC=C2
InChI
InChI=1S/C14H14N2O2/c1-11-2-4-13(5-3-11)16-14(17)18-10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKey
CXJHMYDMVAHRGA-UHFFFAOYSA-N
Compound name
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

242.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.112806 154.2
[M+Na]+ 265.094748 161.0
[M-H]- 241.098254 159.6
[M+NH4]+ 260.139353 169.8
[M+K]+ 281.068688 157.8
[M+H-H2O]+ 225.102790 145.6
[M+HCOO]- 287.103731 178.0
[M+CH3COO]- 301.119381 193.4
[M+Na-2H]- 263.080196 160.9
[M]+ 242.10498142 154.8
[M]- 242.10607858 154.8
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

patents stripe