CID 24839906

Ala-leu cnu

Structural Information

Molecular Formula
C13H23ClN4O5
SMILES
C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C13H23ClN4O5/c1-8(2)7-10(12(20)23-4)16-11(19)9(3)15-13(21)18(17-22)6-5-14/h8-10H,5-7H2,1-4H3,(H,15,21)(H,16,19)/t9-,10-/m0/s1
InChIKey
UWECZTKGCOXBOF-UWVGGRQHSA-N
Compound name
methyl (2S)-2-[[(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1357 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14298 182.6
[M+Na]+ 373.12492 184.7
[M-H]- 349.12842 185.0
[M+NH4]+ 368.16952 196.2
[M+K]+ 389.09886 186.5
[M+H-H2O]+ 333.13296 175.9
[M+HCOO]- 395.13390 202.1
[M+CH3COO]- 409.14955 227.2
[M+Na-2H]- 371.11037 179.5
[M]+ 350.13515 188.8
[M]- 350.13625 188.8
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.