CID 52740

5h-dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(3-dimethylaminobutylidene)-, hydrochloride

Structural Information

Molecular Formula
C21H25N
SMILES
CC(CC=C1C2=CC=CC=C2CCC3=CC=CC=C31)N(C)C
InChI
InChI=1S/C21H25N/c1-16(22(2)3)12-15-21-19-10-6-4-8-17(19)13-14-18-9-5-7-11-20(18)21/h4-11,15-16H,12-14H2,1-3H3
InChIKey
MSZZTVBUPWPAHH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1987 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 169.8
[M+Na]+ 314.18792 181.4
[M+NH4]+ 309.23252 178.9
[M+K]+ 330.16186 173.9
[M-H]- 290.19142 174.6
[M+Na-2H]- 312.17337 176.2
[M]+ 291.19815 173.0
[M]- 291.19925 173.0
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.