CID 3052561

Brn 0853474

Structural Information

Molecular Formula
C14H24ClN5O4
SMILES
CCCCN1CCN(C(=O)C1=O)CCCNC(=O)N(CCCl)N=O
InChI
InChI=1S/C14H24ClN5O4/c1-2-3-7-18-10-11-19(13(22)12(18)21)8-4-6-16-14(23)20(17-24)9-5-15/h2-11H2,1H3,(H,16,23)
InChIKey
BRNVRBKZMZIKEB-UHFFFAOYSA-N
Compound name
3-[3-(4-butyl-2,3-dioxopiperazin-1-yl)propyl]-1-(2-chloroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15167 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15895 181.4
[M+Na]+ 384.14089 187.7
[M+NH4]+ 379.18549 184.5
[M+K]+ 400.11483 183.5
[M-H]- 360.14439 180.6
[M+Na-2H]- 382.12634 182.1
[M]+ 361.15112 181.5
[M]- 361.15222 181.5
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.