CID 26328

Pcnu

Structural Information

Molecular Formula

C₈H₁₁ClN₄O₄

SMILES

C1CC(=O)NC(=O)C1NC(=O)N(CCCl)N=O

InChI

InChI=1S/C8H11ClN4O4/c9-3-4-13(12-17)8(16)10-5-1-2-6(14)11-7(5)15/h5H,1-4H2,(H,10,16)(H,11,14,15)

InChIKey

KHWIRCOLWPNBJP-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-3-(2,6-dioxopiperidin-3-yl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 65
References: 2265
Patents: 262.04688 Da
Monoisotopic Mass: 0.4
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]+	263.05416	152.5
[M+Na]+	285.03610	159.4
[M+NH4]+	280.08070	157.2
[M+K]+	301.01004	156.4
[M-H]-	261.03960	152.2
[M+Na-2H]-	283.02155	154.7
[M]+	262.04633	152.8
[M]-	262.04743	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe