CID 41945

Spiromustine

Structural Information

Molecular Formula
C14H23Cl2N3O2
SMILES
C1CCC2(CC1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl
InChI
InChI=1S/C14H23Cl2N3O2/c15-6-8-18(9-7-16)10-11-19-12(20)14(17-13(19)21)4-2-1-3-5-14/h1-11H2,(H,17,21)
InChIKey
QNKJFXARIMSDBR-UHFFFAOYSA-N
Compound name
3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

13954
Patents

335.11673 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12401 177.0
[M+Na]+ 358.10595 182.0
[M-H]- 334.10945 177.7
[M+NH4]+ 353.15055 192.7
[M+K]+ 374.07989 176.4
[M+H-H2O]+ 318.11399 169.9
[M+HCOO]- 380.11493 183.3
[M+CH3COO]- 394.13058 207.4
[M+Na-2H]- 356.09140 175.9
[M]+ 335.11618 175.3
[M]- 335.11728 175.3
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

patents stripe