CID 44144789

Brn 3626371

Structural Information

Molecular Formula
C23H35NO2
SMILES
CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)CNCC)C)O
InChI
InChI=1S/C23H35NO2/c1-5-7-8-9-18-13-21(25)23(22(26)14-18)20-12-16(3)10-11-19(20)17(4)15-24-6-2/h12-14,19-20,24-26H,4-11,15H2,1-3H3/t19-,20+/m0/s1
InChIKey
QTDZRBHQQYRERW-VQTJNVASSA-N
Compound name
2-[(1R,6R)-6-[3-(ethylamino)prop-1-en-2-yl]-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.26678 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.27406 192.4
[M+Na]+ 380.25600 195.8
[M-H]- 356.25950 195.3
[M+NH4]+ 375.30060 204.1
[M+K]+ 396.22994 189.8
[M+H-H2O]+ 340.26404 184.5
[M+HCOO]- 402.26498 208.3
[M+CH3COO]- 416.28063 219.9
[M+Na-2H]- 378.24145 188.4
[M]+ 357.26623 190.9
[M]- 357.26733 190.9
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.