CID 3068451

83472-40-6

Structural Information

Molecular Formula
C14H24ClN5O4
SMILES
CC(C)C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)N(CCCl)N=O
InChI
InChI=1S/C14H24ClN5O4/c1-9(2)8-10(12(16)21)17-13(22)11-4-3-6-19(11)14(23)20(18-24)7-5-15/h9-11H,3-8H2,1-2H3,(H2,16,21)(H,17,22)/t10-,11-/m0/s1
InChIKey
VLPRANSVBZQCAF-QWRGUYRKSA-N
Compound name
(2S)-2-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-N-(2-chloroethyl)-1-N-nitrosopyrrolidine-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15167 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15895 181.9
[M+Na]+ 384.14089 183.6
[M+NH4]+ 379.18549 184.4
[M+K]+ 400.11483 184.8
[M-H]- 360.14439 180.3
[M+Na-2H]- 382.12634 180.6
[M]+ 361.15112 180.8
[M]- 361.15222 180.8
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.