CID 165341368

3-methyl-n-[(phenylmethoxy)carbonyl]-l-valine 2-[[4-(2-pyridinyl)phenyl]methyl]hydrazide

Structural Information

Molecular Formula
C26H30N4O3
SMILES
CC(C)(C)[C@@H](C(=O)NNCC1=CC=C(C=C1)C2=CC=CC=N2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H30N4O3/c1-26(2,3)23(29-25(32)33-18-20-9-5-4-6-10-20)24(31)30-28-17-19-12-14-21(15-13-19)22-11-7-8-16-27-22/h4-16,23,28H,17-18H2,1-3H3,(H,29,32)(H,30,31)/t23-/m1/s1
InChIKey
OOIPPGASKHFEGY-HSZRJFAPSA-N
Compound name
benzyl N-[(2S)-3,3-dimethyl-1-oxo-1-[2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]butan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.23178 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.23906 209.0
[M+Na]+ 469.22100 209.5
[M-H]- 445.22450 216.0
[M+NH4]+ 464.26560 214.4
[M+K]+ 485.19494 205.6
[M+H-H2O]+ 429.22904 197.4
[M+HCOO]- 491.22998 228.6
[M+CH3COO]- 505.24563 237.7
[M+Na-2H]- 467.20645 212.2
[M]+ 446.23123 208.3
[M]- 446.23233 208.3
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.