CID 3021904

Piperidine, 1-((2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)ethyl)sulfonyl)-

Structural Information

Molecular Formula
C10H19ClN4O4S
SMILES
C1CCN(CC1)S(=O)(=O)CCNC(=O)N(CCCl)N=O
InChI
InChI=1S/C10H19ClN4O4S/c11-4-8-15(13-17)10(16)12-5-9-20(18,19)14-6-2-1-3-7-14/h1-9H2,(H,12,16)
InChIKey
CVMVXHUAVILQEG-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-1-nitroso-3-(2-piperidin-1-ylsulfonylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.08154 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08882 169.3
[M+Na]+ 349.07076 172.5
[M-H]- 325.07426 173.0
[M+NH4]+ 344.11536 183.0
[M+K]+ 365.04470 170.8
[M+H-H2O]+ 309.07880 162.0
[M+HCOO]- 371.07974 182.1
[M+CH3COO]- 385.09539 211.2
[M+Na-2H]- 347.05621 172.3
[M]+ 326.08099 172.3
[M]- 326.08209 172.3
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

patents stripe