CID 39340

6,7,8,9-tetrahydro-alpha-((dipropylamino)methyl)-5h-benzocycloheptene-2-methanol maleate

Structural Information

Molecular Formula
C19H31NO
SMILES
CCCN(CCC)CC(C1=CC2=C(CCCCC2)C=C1)O
InChI
InChI=1S/C19H31NO/c1-3-12-20(13-4-2)15-19(21)18-11-10-16-8-6-5-7-9-17(16)14-18/h10-11,14,19,21H,3-9,12-13,15H2,1-2H3
InChIKey
FECVVQXGTDBXLR-UHFFFAOYSA-N
Compound name
2-(dipropylamino)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.24057 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 169.8
[M+Na]+ 312.22979 177.8
[M+NH4]+ 307.27439 177.3
[M+K]+ 328.20373 172.1
[M-H]- 288.23329 172.5
[M+Na-2H]- 310.21524 173.9
[M]+ 289.24002 171.6
[M]- 289.24112 171.6
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.