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]+ 358.274056 192.4
[M+Na]+ 380.255998 195.8
[M-H]- 356.259504 195.3
[M+NH4]+ 375.300603 204.1
[M+K]+ 396.229938 189.8
[M+H-H2O]+ 340.264040 184.5
[M+HCOO]- 402.264981 208.3
[M+CH3COO]- 416.280631 219.9
[M+Na-2H]- 378.241446 188.4
[M]+ 357.26623142 190.9
[M]- 357.26732858 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.