CID 39348

5h-benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((phenylmethyl)amino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H25NO
SMILES
C1CCC2=C(CC1)C=C(C=C2)C(CNCC3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO/c22-20(15-21-14-16-7-3-1-4-8-16)19-12-11-17-9-5-2-6-10-18(17)13-19/h1,3-4,7-8,11-13,20-22H,2,5-6,9-10,14-15H2
InChIKey
QNOKEGPTHUCTFS-UHFFFAOYSA-N
Compound name
2-(benzylamino)-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

295.1936 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 172.6
[M+Na]+ 318.18282 182.9
[M+NH4]+ 313.22742 180.8
[M+K]+ 334.15676 175.8
[M-H]- 294.18632 177.5
[M+Na-2H]- 316.16827 179.7
[M]+ 295.19305 175.5
[M]- 295.19415 175.5
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.