CID 3069647

Cu ser cnu

Structural Information

Molecular Formula

C₁₀H₁₆Cl₂N₄O₆

SMILES

COC(=O)[C@H](COC(=O)NCCCl)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C10H16Cl2N4O6/c1-21-8(17)7(6-22-10(19)13-4-2-11)14-9(18)16(15-20)5-3-12/h7H,2-6H2,1H3,(H,13,19)(H,14,18)/t7-/m0/s1

InChIKey

SXQAJMIRICCHBI-ZETCQYMHSA-N

Compound name

methyl (2S)-3-(2-chloroethylcarbamoyloxy)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.04468 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	359.051956	174.9
[M+Na]+	381.033898	178.9
[M-H]-	357.037404	177.3
[M+NH4]+	376.078503	188.8
[M+K]+	397.007838	179.2
[M+H-H2O]+	341.041940	169.5
[M+HCOO]-	403.042881	192.8
[M+CH3COO]-	417.058531	222.0
[M+Na-2H]-	379.019346	175.4
[M]+	358.04413142	183.7
[M]-	358.04522858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.