CID 54092

5-(2-amino-1-methylethyl)-5h-dibenzo(a,d)cyclohepten-5-ol hydrochloride

Structural Information

Molecular Formula
C18H19NO
SMILES
CC(CN)C1(C2=CC=CC=C2C=CC3=CC=CC=C31)O
InChI
InChI=1S/C18H19NO/c1-13(12-19)18(20)16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-11,13,20H,12,19H2,1H3
InChIKey
DWEAWVGMNZKLCB-UHFFFAOYSA-N
Compound name
2-(1-aminopropan-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 161.9
[M+Na]+ 288.135888 168.5
[M-H]- 264.139394 167.0
[M+NH4]+ 283.180493 180.4
[M+K]+ 304.109828 167.3
[M+H-H2O]+ 248.143930 157.1
[M+HCOO]- 310.144871 180.8
[M+CH3COO]- 324.160521 172.9
[M+Na-2H]- 286.121336 168.4
[M]+ 265.14612142 158.0
[M]- 265.14721858 158.0
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.