CID 3062649

1-((1,1-dimethylethyl)amino)-3-((2-(1-methylethyl)phenyl)amino)-2-propanol

Structural Information

Molecular Formula
C16H28N2O
SMILES
CC(C)C1=CC=CC=C1NCC(CNC(C)(C)C)O
InChI
InChI=1S/C16H28N2O/c1-12(2)14-8-6-7-9-15(14)17-10-13(19)11-18-16(3,4)5/h6-9,12-13,17-19H,10-11H2,1-5H3
InChIKey
YRZFJOXDDNCCDX-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.227426 168.0
[M+Na]+ 287.209368 171.1
[M-H]- 263.212874 169.6
[M+NH4]+ 282.253973 183.6
[M+K]+ 303.183308 168.7
[M+H-H2O]+ 247.217410 161.4
[M+HCOO]- 309.218351 187.4
[M+CH3COO]- 323.234001 204.4
[M+Na-2H]- 285.194816 170.1
[M]+ 264.21960142 167.0
[M]- 264.22069858 167.0
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