CID 220554

Dibenzyl hydrazine-1,2-dicarboxylate

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1=CC=C(C=C1)COC(=O)NNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,18,20)
InChIKey
UEYMRBONTZTXQP-UHFFFAOYSA-N
Compound name
benzyl N-(phenylmethoxycarbonylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

52
Patents

300.111 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 168.1
[M+Na]+ 323.10022 172.0
[M-H]- 299.10372 174.2
[M+NH4]+ 318.14482 181.7
[M+K]+ 339.07416 169.8
[M+H-H2O]+ 283.10826 159.1
[M+HCOO]- 345.10920 193.1
[M+CH3COO]- 359.12485 203.1
[M+Na-2H]- 321.08567 173.6
[M]+ 300.11045 169.0
[M]- 300.11155 169.0
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