CID 3052552

Brn 0901829

Structural Information

Molecular Formula
C15H26ClN5O4
SMILES
CCN1CCN(C(=O)C1=O)CCCCCCNC(=O)N(CCCl)N=O
InChI
InChI=1S/C15H26ClN5O4/c1-2-19-11-12-20(14(23)13(19)22)9-6-4-3-5-8-17-15(24)21(18-25)10-7-16/h2-12H2,1H3,(H,17,24)
InChIKey
JGUISAJIUQOEBZ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[6-(4-ethyl-2,3-dioxopiperazin-1-yl)hexyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.16733 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17461 187.3
[M+Na]+ 398.15655 191.1
[M-H]- 374.16005 189.6
[M+NH4]+ 393.20115 198.0
[M+K]+ 414.13049 189.0
[M+H-H2O]+ 358.16459 178.3
[M+HCOO]- 420.16553 204.1
[M+CH3COO]- 434.18118 228.6
[M+Na-2H]- 396.14200 187.2
[M]+ 375.16678 192.3
[M]- 375.16788 192.3
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.