CID 209587

1-(isopropylamino)-3-(2,4,6-trimethylanilino)-2-propanol dihydrochloride

Structural Information

Molecular Formula
C15H26N2O
SMILES
CC1=CC(=C(C(=C1)C)NCC(CNC(C)C)O)C
InChI
InChI=1S/C15H26N2O/c1-10(2)16-8-14(18)9-17-15-12(4)6-11(3)7-13(15)5/h6-7,10,14,16-18H,8-9H2,1-5H3
InChIKey
HGFMRABXXKFSGP-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-(2,4,6-trimethylanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.20451 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.21179 163.6
[M+Na]+ 273.19373 168.5
[M-H]- 249.19723 165.8
[M+NH4]+ 268.23833 180.2
[M+K]+ 289.16767 165.9
[M+H-H2O]+ 233.20177 157.0
[M+HCOO]- 295.20271 184.8
[M+CH3COO]- 309.21836 204.1
[M+Na-2H]- 271.17918 163.9
[M]+ 250.20396 163.6
[M]- 250.20506 163.6
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.