CID 164488

Cypenhymustine

Structural Information

Molecular Formula
C13H21Cl2N3O2
SMILES
C1CCC2(C1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl
InChI
InChI=1S/C13H21Cl2N3O2/c14-5-7-17(8-6-15)9-10-18-11(19)13(16-12(18)20)3-1-2-4-13/h1-10H2,(H,16,20)
InChIKey
SSPKQVAQJYNRQQ-UHFFFAOYSA-N
Compound name
3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.10107 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10835 175.2
[M+Na]+ 344.09029 181.4
[M-H]- 320.09379 176.6
[M+NH4]+ 339.13489 193.2
[M+K]+ 360.06423 175.9
[M+H-H2O]+ 304.09833 168.5
[M+HCOO]- 366.09927 183.9
[M+CH3COO]- 380.11492 204.3
[M+Na-2H]- 342.07574 173.0
[M]+ 321.10052 175.1
[M]- 321.10162 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.