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

0
Patents

264.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 168.0
[M+Na]+ 287.20937 171.1
[M-H]- 263.21287 169.6
[M+NH4]+ 282.25397 183.6
[M+K]+ 303.18331 168.7
[M+H-H2O]+ 247.21741 161.4
[M+HCOO]- 309.21835 187.4
[M+CH3COO]- 323.23400 204.4
[M+Na-2H]- 285.19482 170.1
[M]+ 264.21960 167.0
[M]- 264.22070 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