CID 3087835

116680-67-2

Structural Information

Molecular Formula
C24H31NO3
SMILES
COC1=C(C=C2CC(CCC2=C1)N(CC3CC3)CC(C4=CC=CC=C4)O)OC
InChI
InChI=1S/C24H31NO3/c1-27-23-13-19-10-11-21(12-20(19)14-24(23)28-2)25(15-17-8-9-17)16-22(26)18-6-4-3-5-7-18/h3-7,13-14,17,21-22,26H,8-12,15-16H2,1-2H3
InChIKey
MYFGTGJWRZSIBT-UHFFFAOYSA-N
Compound name
2-[cyclopropylmethyl-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

381.2304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 187.4
[M+Na]+ 404.219618 191.7
[M-H]- 380.223124 196.8
[M+NH4]+ 399.264223 194.7
[M+K]+ 420.193558 187.8
[M+H-H2O]+ 364.227660 178.4
[M+HCOO]- 426.228601 205.4
[M+CH3COO]- 440.244251 226.3
[M+Na-2H]- 402.205066 188.3
[M]+ 381.22985142 190.3
[M]- 381.23094858 190.3
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.