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

8
Patents

357.3607 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.36798 202.9
[M+Na]+ 380.34992 201.6
[M-H]- 356.35342 198.7
[M+NH4]+ 375.39452 214.8
[M+K]+ 396.32386 198.2
[M+H-H2O]+ 340.35796 195.0
[M+HCOO]- 402.35890 219.3
[M+CH3COO]- 416.37455 222.8
[M+Na-2H]- 378.33537 198.6
[M]+ 357.36015 209.1
[M]- 357.36125 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