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 171.6
[M+Na]+ 338.12820 179.0
[M-H]- 314.13170 178.8
[M+NH4]+ 333.17280 189.1
[M+K]+ 354.10214 178.1
[M+H-H2O]+ 298.13624 166.2
[M+HCOO]- 360.13718 188.1
[M+CH3COO]- 374.15283 182.9
[M+Na-2H]- 336.11365 176.6
[M]+ 315.13843 173.3
[M]- 315.13953 173.3
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.