CID 16731552

Tert-butyl 2-(1-(4-(methoxycarbonyl)phenyl)ethylidene)hydrazine-1-carboxylate

Structural Information

Molecular Formula
C15H20N2O4
SMILES
C/C(=N\NC(=O)OC(C)(C)C)/C1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C15H20N2O4/c1-10(16-17-14(19)21-15(2,3)4)11-6-8-12(9-7-11)13(18)20-5/h6-9H,1-5H3,(H,17,19)/b16-10+
InChIKey
DQYIKEHENIUSRH-MHWRWJLKSA-N
Compound name
methyl 4-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14958 168.1
[M+Na]+ 315.13152 173.1
[M-H]- 291.13502 173.0
[M+NH4]+ 310.17612 183.7
[M+K]+ 331.10546 173.2
[M+H-H2O]+ 275.13956 161.0
[M+HCOO]- 337.14050 191.2
[M+CH3COO]- 351.15615 208.3
[M+Na-2H]- 313.11697 170.9
[M]+ 292.14175 171.8
[M]- 292.14285 171.8
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.