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 169.6
[M+Na]+ 312.22979 170.3
[M-H]- 288.23329 173.5
[M+NH4]+ 307.27439 184.8
[M+K]+ 328.20373 171.7
[M+H-H2O]+ 272.23783 163.6
[M+HCOO]- 334.23877 186.6
[M+CH3COO]- 348.25442 209.3
[M+Na-2H]- 310.21524 170.9
[M]+ 289.24002 165.8
[M]- 289.24112 165.8
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.