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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05196 174.9
[M+Na]+ 381.03390 178.9
[M-H]- 357.03740 177.3
[M+NH4]+ 376.07850 188.8
[M+K]+ 397.00784 179.2
[M+H-H2O]+ 341.04194 169.5
[M+HCOO]- 403.04288 192.8
[M+CH3COO]- 417.05853 222.0
[M+Na-2H]- 379.01935 175.4
[M]+ 358.04413 183.7
[M]- 358.04523 183.7
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.