CID 3042590

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

Structural Information

Molecular Formula
C18H38N4O4
SMILES
C1C[N+]2(CCN1CC(CO)O)CC[N+]3(CCN(CC3)CC(CO)O)CC2
InChI
InChI=1S/C18H38N4O4/c23-15-17(25)13-19-1-5-21(6-2-19)9-11-22(12-10-21)7-3-20(4-8-22)14-18(26)16-24/h17-18,23-26H,1-16H2/q+2
InChIKey
PKNAMNQNZZHGGY-UHFFFAOYSA-N
Compound name
3-[12-(2,3-dihydroxypropyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2893 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.29658 191.3
[M+Na]+ 397.27852 189.3
[M-H]- 373.28202 186.0
[M+NH4]+ 392.32312 198.3
[M+K]+ 413.25246 174.5
[M+H-H2O]+ 357.28656 186.8
[M+HCOO]- 419.28750 189.3
[M+CH3COO]- 433.30315 192.4
[M+Na-2H]- 395.26397 195.2
[M]+ 374.28875 175.3
[M]- 374.28985 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.