CID 102775

2-propanol, 1,1'-(hexadecylimino)bis-

Structural Information

Molecular Formula
C22H47NO2
SMILES
CCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C22H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21(2)24)20-22(3)25/h21-22,24-25H,4-20H2,1-3H3
InChIKey
MNDXNPPBHMRCOA-UHFFFAOYSA-N
Compound name
1-[hexadecyl(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

95
Patents

357.3607 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.367976 203.9
[M+Na]+ 380.349918 202.4
[M-H]- 356.353424 199.8
[M+NH4]+ 375.394523 215.7
[M+K]+ 396.323858 199.5
[M+H-H2O]+ 340.357960 196.2
[M+HCOO]- 402.358901 219.4
[M+CH3COO]- 416.374551 223.6
[M+Na-2H]- 378.335366 198.3
[M]+ 357.36015142 209.4
[M]- 357.36124858 209.4
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