CID 98117

1-(2-(n,n-bis-(2-hydroxypropyl)-amino)-ethyl)-4-(2-hydroxypropyl)-piperazine

Structural Information

Molecular Formula
C15H33N3O3
SMILES
CC(CN1CCN(CC1)CCN(CC(C)O)CC(C)O)O
InChI
InChI=1S/C15H33N3O3/c1-13(19)10-17-7-4-16(5-8-17)6-9-18(11-14(2)20)12-15(3)21/h13-15,19-21H,4-12H2,1-3H3
InChIKey
CVGZYBYVLMNLGK-UHFFFAOYSA-N
Compound name
1-[4-[2-[bis(2-hydroxypropyl)amino]ethyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

303.2522 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.25948 178.6
[M+Na]+ 326.24142 178.4
[M-H]- 302.24492 174.8
[M+NH4]+ 321.28602 188.8
[M+K]+ 342.21536 177.5
[M+H-H2O]+ 286.24946 170.4
[M+HCOO]- 348.25040 188.9
[M+CH3COO]- 362.26605 206.7
[M+Na-2H]- 324.22687 174.8
[M]+ 303.25165 175.2
[M]- 303.25275 175.2
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

patents stripe