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 186.1
[M+Na]+ 384.14089 187.6
[M-H]- 360.14439 189.8
[M+NH4]+ 379.18549 199.2
[M+K]+ 400.11483 187.8
[M+H-H2O]+ 344.14893 178.3
[M+HCOO]- 406.14987 203.3
[M+CH3COO]- 420.16552 227.5
[M+Na-2H]- 382.12634 181.4
[M]+ 361.15112 187.3
[M]- 361.15222 187.3
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.