CID 50410

Methyl (3-(p-benzyl-alpha-methylbenzyl))carbazate hydrochloride

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CC(C1=CC=C(C=C1)CC2=CC=CC=C2)NNC(=O)OC
InChI
InChI=1S/C17H20N2O2/c1-13(18-19-17(20)21-2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11,13,18H,12H2,1-2H3,(H,19,20)
InChIKey
DEGBSBXQXYNUQU-UHFFFAOYSA-N
Compound name
methyl N-[1-(4-benzylphenyl)ethylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 167.7
[M+Na]+ 307.14169 171.8
[M-H]- 283.14519 173.9
[M+NH4]+ 302.18629 182.4
[M+K]+ 323.11563 168.8
[M+H-H2O]+ 267.14973 159.1
[M+HCOO]- 329.15067 191.7
[M+CH3COO]- 343.16632 205.7
[M+Na-2H]- 305.12714 171.7
[M]+ 284.15192 167.5
[M]- 284.15302 167.5
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.