CID 27319

3-chloro-5-(2-(dimethylamino)ethoxy)-10,11-dihydro-5h-dibenzo(a,d)cycloheptene maleate

Structural Information

Molecular Formula
C19H22ClNO
SMILES
CN(C)CCOC1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H22ClNO/c1-21(2)11-12-22-19-17-6-4-3-5-14(17)7-8-15-9-10-16(20)13-18(15)19/h3-6,9-10,13,19H,7-8,11-12H2,1-2H3
InChIKey
IGPFAUPXRNKHBS-UHFFFAOYSA-N
Compound name
2-[(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13898 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14626 170.3
[M+Na]+ 338.12820 183.3
[M+NH4]+ 333.17280 179.8
[M+K]+ 354.10214 175.3
[M-H]- 314.13170 175.2
[M+Na-2H]- 336.11365 177.1
[M]+ 315.13843 174.1
[M]- 315.13953 174.1
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.