CID 41770

2,2'-((1-methylheptadecyl)imino)bisethanol hydrochloride

Structural Information

Molecular Formula
C22H47NO2
SMILES
CCCCCCCCCCCCCCCCC(C)N(CCO)CCO
InChI
InChI=1S/C22H47NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)23(18-20-24)19-21-25/h22,24-25H,3-21H2,1-2H3
InChIKey
KCGVQSXUEPXKJX-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(octadecan-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

357.3607 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.367976 202.9
[M+Na]+ 380.349918 201.6
[M-H]- 356.353424 198.7
[M+NH4]+ 375.394523 214.8
[M+K]+ 396.323858 198.2
[M+H-H2O]+ 340.357960 195.0
[M+HCOO]- 402.358901 219.3
[M+CH3COO]- 416.374551 222.8
[M+Na-2H]- 378.335366 198.6
[M]+ 357.36015142 209.1
[M]- 357.36124858 209.1
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