CID 3042586

N,n'''-di-(gamma-methylamino-beta-hydroxypropyl)-n',n''-dispirotripiperazinium dichloride

Structural Information

Molecular Formula
C20H44N6O2
SMILES
CNCC(CN1CC[N+]2(CC1)CC[N+]3(CCN(CC3)CC(CNC)O)CC2)O
InChI
InChI=1S/C20H44N6O2/c1-21-15-19(27)17-23-3-7-25(8-4-23)11-13-26(14-12-25)9-5-24(6-10-26)18-20(28)16-22-2/h19-22,27-28H,3-18H2,1-2H3/q+2
InChIKey
KKTIDYGGQCUNSU-UHFFFAOYSA-N
Compound name
1-[12-[2-hydroxy-3-(methylamino)propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-(methylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.35257 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.35985 194.3
[M+Na]+ 423.34179 202.2
[M+NH4]+ 418.38639 203.5
[M+K]+ 439.31573 195.3
[M-H]- 399.34529 198.3
[M+Na-2H]- 421.32724 199.3
[M]+ 400.35202 196.9
[M]- 400.35312 196.9
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.