CID 44970

Aniline, 3-(n'-benzylcarbamoyloxy)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CN(C)C1=CC(=CC=C1)OC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C16H18N2O2/c1-18(2)14-9-6-10-15(11-14)20-16(19)17-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,17,19)
InChIKey
MKCKNOOVDKDZLA-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)phenyl] N-benzylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 163.1
[M+Na]+ 293.12606 168.1
[M-H]- 269.12956 170.9
[M+NH4]+ 288.17066 179.1
[M+K]+ 309.10000 166.2
[M+H-H2O]+ 253.13410 154.4
[M+HCOO]- 315.13504 189.0
[M+CH3COO]- 329.15069 205.2
[M+Na-2H]- 291.11151 168.1
[M]+ 270.13629 164.4
[M]- 270.13739 164.4
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