CID 12252608

102517-19-1

Structural Information

Molecular Formula
C22H46Cl2N4O2
SMILES
C[N+]1(CCN(CC1)CC(CCl)O)CCCCCC[N+]2(CCN(CC2)CC(CCl)O)C
InChI
InChI=1S/C22H46Cl2N4O2/c1-27(13-7-25(8-14-27)19-21(29)17-23)11-5-3-4-6-12-28(2)15-9-26(10-16-28)20-22(30)18-24/h21-22,29-30H,3-20H2,1-2H3/q+2
InChIKey
LIJAHOBUUWXHHX-UHFFFAOYSA-N
Compound name
1-chloro-3-[4-[6-[4-(3-chloro-2-hydroxypropyl)-1-methylpiperazin-1-ium-1-yl]hexyl]-4-methylpiperazin-4-ium-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.29977 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.30705 204.4
[M+Na]+ 491.28899 203.3
[M-H]- 467.29249 199.3
[M+NH4]+ 486.33359 210.3
[M+K]+ 507.26293 187.0
[M+H-H2O]+ 451.29703 200.7
[M+HCOO]- 513.29797 197.7
[M+CH3COO]- 527.31362 215.1
[M+Na-2H]- 489.27444 205.0
[M]+ 468.29922 198.5
[M]- 468.30032 198.5
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.