CID 504044

Valine, 3-mercapto-n-(n-phenylacetylglycyl)-,hydrazide

Structural Information

Molecular Formula
C15H22N4O3S
SMILES
CC(C)([C@@H](C(=O)NN)NC(=O)CNC(=O)CC1=CC=CC=C1)S
InChI
InChI=1S/C15H22N4O3S/c1-15(2,23)13(14(22)19-16)18-12(21)9-17-11(20)8-10-6-4-3-5-7-10/h3-7,13,23H,8-9,16H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)/t13-/m1/s1
InChIKey
KZRFDQFJAPYGOA-CYBMUJFWSA-N
Compound name
N-[2-[[(2R)-1-hydrazinyl-3-methyl-1-oxo-3-sulfanylbutan-2-yl]amino]-2-oxoethyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.14127 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14855 179.6
[M+Na]+ 361.13049 180.5
[M-H]- 337.13399 181.3
[M+NH4]+ 356.17509 191.2
[M+K]+ 377.10443 178.3
[M+H-H2O]+ 321.13853 171.2
[M+HCOO]- 383.13947 195.4
[M+CH3COO]- 397.15512 218.4
[M+Na-2H]- 359.11594 179.3
[M]+ 338.14072 178.3
[M]- 338.14182 178.3
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.