CID 3073193

4-benzoyl-1-(2-chloroethyl)-1-nitrosohydrazine carboxamide

Structural Information

Molecular Formula
C10H11ClN4O3
SMILES
C1=CC=C(C=C1)C(=O)NNC(=O)N(CCCl)N=O
InChI
InChI=1S/C10H11ClN4O3/c11-6-7-15(14-18)10(17)13-12-9(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)(H,13,17)
InChIKey
VJSWMONHDCQBKG-UHFFFAOYSA-N
Compound name
3-benzamido-1-(2-chloroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.05197 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05925 158.1
[M+Na]+ 293.04119 163.3
[M-H]- 269.04469 164.2
[M+NH4]+ 288.08579 174.9
[M+K]+ 309.01513 162.3
[M+H-H2O]+ 253.04923 150.8
[M+HCOO]- 315.05017 183.2
[M+CH3COO]- 329.06582 206.8
[M+Na-2H]- 291.02664 163.8
[M]+ 270.05142 161.3
[M]- 270.05252 161.3
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

No patent data available for this compound.