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]+ 285.159746 167.7
[M+Na]+ 307.141688 171.8
[M-H]- 283.145194 173.9
[M+NH4]+ 302.186293 182.4
[M+K]+ 323.115628 168.8
[M+H-H2O]+ 267.149730 159.1
[M+HCOO]- 329.150671 191.7
[M+CH3COO]- 343.166321 205.7
[M+Na-2H]- 305.127136 171.7
[M]+ 284.15192142 167.5
[M]- 284.15301858 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.