CID 382260

Nsc669714

Structural Information

Molecular Formula
C21H26N4O4
SMILES
CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)NN)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H26N4O4/c1-21(2,24-20(28)29-14-16-11-7-4-8-12-16)19(27)23-17(18(26)25-22)13-15-9-5-3-6-10-15/h3-12,17H,13-14,22H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)
InChIKey
YNBJUYDCRZPVAC-UHFFFAOYSA-N
Compound name
benzyl N-[1-[(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20268 194.4
[M+Na]+ 421.18462 194.2
[M-H]- 397.18812 199.2
[M+NH4]+ 416.22922 202.7
[M+K]+ 437.15856 192.6
[M+H-H2O]+ 381.19266 184.7
[M+HCOO]- 443.19360 215.6
[M+CH3COO]- 457.20925 230.3
[M+Na-2H]- 419.17007 196.2
[M]+ 398.19485 192.2
[M]- 398.19595 192.2
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.