CID 50875

3-chloro-5-(3-dimethylaminopropyl)-5h-dibenzo(a,d)cyclohepten-5-ol hydrogen phosphate

Structural Information

Molecular Formula
C20H22ClNO
SMILES
CN(C)CCCC1(C2=CC=CC=C2C=CC3=C1C=C(C=C3)Cl)O
InChI
InChI=1S/C20H22ClNO/c1-22(2)13-5-12-20(23)18-7-4-3-6-15(18)8-9-16-10-11-17(21)14-19(16)20/h3-4,6-11,14,23H,5,12-13H2,1-2H3
InChIKey
BJCIGLKGLLEDPV-UHFFFAOYSA-N
Compound name
5-chloro-2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.13898 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14626 172.1
[M+Na]+ 350.12820 185.4
[M+NH4]+ 345.17280 182.5
[M+K]+ 366.10214 175.8
[M-H]- 326.13170 176.6
[M+Na-2H]- 348.11365 180.4
[M]+ 327.13843 176.0
[M]- 327.13953 176.0
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.