CID 86512

2-propanol, 1,1',1'',1'''-[[(2-hydroxypropyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis-

Structural Information

Molecular Formula
C19H43N3O5
SMILES
CC(CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O)O
InChI
InChI=1S/C19H43N3O5/c1-15(23)10-20(6-8-21(11-16(2)24)12-17(3)25)7-9-22(13-18(4)26)14-19(5)27/h15-19,23-27H,6-14H2,1-5H3
InChIKey
LWMWZNOCSCPBCH-UHFFFAOYSA-N
Compound name
1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

585
Patents

393.32028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.32756 205.7
[M+Na]+ 416.30950 226.8
[M-H]- 392.31300 220.3
[M+NH4]+ 411.35410 220.8
[M+K]+ 432.28344 204.5
[M+H-H2O]+ 376.31754 197.7
[M+HCOO]- 438.31848 203.7
[M+CH3COO]- 452.33413 233.6
[M+Na-2H]- 414.29495 196.1
[M]+ 393.31973 209.0
[M]- 393.32083 209.0
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