CID 255687

Dibenzyl 1-methyl-1,2-hydrazinedicarboxylate

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CN(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H18N2O4/c1-19(17(21)23-13-15-10-6-3-7-11-15)18-16(20)22-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,18,20)
InChIKey
XKOYHHVVJGYROX-UHFFFAOYSA-N
Compound name
benzyl N-methyl-N-(phenylmethoxycarbonylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

314.12665 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 173.4
[M+Na]+ 337.11587 176.9
[M-H]- 313.11937 180.7
[M+NH4]+ 332.16047 187.1
[M+K]+ 353.08981 176.0
[M+H-H2O]+ 297.12391 164.0
[M+HCOO]- 359.12485 198.5
[M+CH3COO]- 373.14050 209.4
[M+Na-2H]- 335.10132 177.5
[M]+ 314.12610 175.8
[M]- 314.12720 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe