CID 282886

Nsc136986

Structural Information

Molecular Formula
C26H35N5O7
SMILES
CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NN)NC(=O)C(CO)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C26H35N5O7/c1-16(2)12-20(23(34)29-21(25(36)31-27)13-17-8-10-19(33)11-9-17)28-24(35)22(14-32)30-26(37)38-15-18-6-4-3-5-7-18/h3-11,16,20-22,32-33H,12-15,27H2,1-2H3,(H,28,35)(H,29,34)(H,30,37)(H,31,36)
InChIKey
NJPMYUDKLUEWPT-UHFFFAOYSA-N
Compound name
benzyl N-[1-[[1-[[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.25366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.26094 225.2
[M+Na]+ 552.24288 220.0
[M-H]- 528.24638 226.7
[M+NH4]+ 547.28748 225.9
[M+K]+ 568.21682 221.5
[M+H-H2O]+ 512.25092 214.5
[M+HCOO]- 574.25186 241.1
[M+CH3COO]- 588.26751 256.9
[M+Na-2H]- 550.22833 218.9
[M]+ 529.25311 222.3
[M]- 529.25421 222.3
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.