CID 4930

Pronethalol

Structural Information

Molecular Formula
C15H19NO
SMILES
CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O
InChI
InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3
InChIKey
HRSANNODOVBCST-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

119
References

3764
Patents

229.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 153.5
[M+Na]+ 252.13589 158.8
[M-H]- 228.13939 156.2
[M+NH4]+ 247.18049 171.6
[M+K]+ 268.10983 155.3
[M+H-H2O]+ 212.14393 147.0
[M+HCOO]- 274.14487 173.7
[M+CH3COO]- 288.16052 194.0
[M+Na-2H]- 250.12134 158.5
[M]+ 229.14612 152.3
[M]- 229.14722 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe