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]+ 266.15395 161.9
[M+Na]+ 288.13589 168.5
[M-H]- 264.13939 167.0
[M+NH4]+ 283.18049 180.4
[M+K]+ 304.10983 167.3
[M+H-H2O]+ 248.14393 157.1
[M+HCOO]- 310.14487 180.8
[M+CH3COO]- 324.16052 172.9
[M+Na-2H]- 286.12134 168.4
[M]+ 265.14612 158.0
[M]- 265.14722 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.