CID 64257

Brn 2120834

Structural Information

Molecular Formula
C22H41NO2
SMILES
CCC(C)N(CC(COCC12CC3CC(C1)CC(C3)C2)O)C(C)CC
InChI
InChI=1S/C22H41NO2/c1-5-16(3)23(17(4)6-2)13-21(24)14-25-15-22-10-18-7-19(11-22)9-20(8-18)12-22/h16-21,24H,5-15H2,1-4H3
InChIKey
HFDZAMYXLQSMOA-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-[di(butan-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.31372 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.32100 197.5
[M+Na]+ 374.30294 193.0
[M-H]- 350.30644 190.0
[M+NH4]+ 369.34754 216.4
[M+K]+ 390.27688 191.0
[M+H-H2O]+ 334.31098 190.6
[M+HCOO]- 396.31192 198.0
[M+CH3COO]- 410.32757 228.4
[M+Na-2H]- 372.28839 199.3
[M]+ 351.31317 199.2
[M]- 351.31427 199.2
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

No patent data available for this compound.