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

1
Patents

381.2304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23768 187.4
[M+Na]+ 404.21962 191.7
[M-H]- 380.22312 196.8
[M+NH4]+ 399.26422 194.7
[M+K]+ 420.19356 187.8
[M+H-H2O]+ 364.22766 178.4
[M+HCOO]- 426.22860 205.4
[M+CH3COO]- 440.24425 226.3
[M+Na-2H]- 402.20507 188.3
[M]+ 381.22985 190.3
[M]- 381.23095 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.