CID 214114

10-bromo-5-(2-dimethylaminoethoxy)-5h-dibenzo(a,d)cycloheptene hydrogen maleate

Structural Information

Molecular Formula
C19H20BrNO
SMILES
CN(C)CCOC1C2=CC=CC=C2C=C(C3=CC=CC=C13)Br
InChI
InChI=1S/C19H20BrNO/c1-21(2)11-12-22-19-15-8-4-3-7-14(15)13-18(20)16-9-5-6-10-17(16)19/h3-10,13,19H,11-12H2,1-2H3
InChIKey
QOQFYBCXXZTEAT-UHFFFAOYSA-N
Compound name
2-[(9-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0728 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08008 176.4
[M+Na]+ 380.06202 185.4
[M-H]- 356.06552 186.1
[M+NH4]+ 375.10662 194.6
[M+K]+ 396.03596 178.5
[M+H-H2O]+ 340.07006 176.5
[M+HCOO]- 402.07100 195.7
[M+CH3COO]- 416.08665 189.0
[M+Na-2H]- 378.04747 182.8
[M]+ 357.07225 194.4
[M]- 357.07335 194.4
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.