CID 296517

Nsc166702

Structural Information

Molecular Formula
C18H26N4O4
SMILES
CC(C)C(C(=O)NN)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H26N4O4/c1-12(2)15(17(24)21-19)20-16(23)14-9-6-10-22(14)18(25)26-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKey
SMLBZHDLCNIUGA-UHFFFAOYSA-N
Compound name
benzyl 2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1954 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20268 187.2
[M+Na]+ 385.18462 187.2
[M-H]- 361.18812 191.0
[M+NH4]+ 380.22922 197.9
[M+K]+ 401.15856 186.4
[M+H-H2O]+ 345.19266 178.0
[M+HCOO]- 407.19360 205.7
[M+CH3COO]- 421.20925 221.1
[M+Na-2H]- 383.17007 183.2
[M]+ 362.19485 183.5
[M]- 362.19595 183.5
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.