CID 5227591

4-cyanophenyl n-(3,5-xylyl)carbamate

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=CC(=CC(=C1)NC(=O)OC2=CC=C(C=C2)C#N)C
InChI
InChI=1S/C16H14N2O2/c1-11-7-12(2)9-14(8-11)18-16(19)20-15-5-3-13(10-17)4-6-15/h3-9H,1-2H3,(H,18,19)
InChIKey
VNEQYVPYAZXXQN-UHFFFAOYSA-N
Compound name
(4-cyanophenyl) N-(3,5-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 166.0
[M+Na]+ 289.09475 175.9
[M-H]- 265.09825 171.7
[M+NH4]+ 284.13935 180.6
[M+K]+ 305.06869 170.9
[M+H-H2O]+ 249.10279 152.0
[M+HCOO]- 311.10373 186.4
[M+CH3COO]- 325.11938 210.7
[M+Na-2H]- 287.08020 169.0
[M]+ 266.10498 162.0
[M]- 266.10608 162.0
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.