CID 51533

Methyl (alpha-methyl-p-phenoxybenzyl)carbazate hydrobromide

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC(C1=CC=C(C=C1)OC2=CC=CC=C2)NNC(=O)OC
InChI
InChI=1S/C16H18N2O3/c1-12(17-18-16(19)20-2)13-8-10-15(11-9-13)21-14-6-4-3-5-7-14/h3-12,17H,1-2H3,(H,18,19)
InChIKey
YRLWCNHKLAPKQP-UHFFFAOYSA-N
Compound name
methyl N-[1-(4-phenoxyphenyl)ethylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 166.0
[M+Na]+ 309.12096 170.4
[M-H]- 285.12446 172.3
[M+NH4]+ 304.16556 180.5
[M+K]+ 325.09490 168.3
[M+H-H2O]+ 269.12900 157.3
[M+HCOO]- 331.12994 190.5
[M+CH3COO]- 345.14559 204.9
[M+Na-2H]- 307.10641 170.6
[M]+ 286.13119 166.8
[M]- 286.13229 166.8
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

No patent data available for this compound.