CID 52675

Brn 0437420

Structural Information

Molecular Formula
C20H23ClN2
SMILES
CN(C)C1CN(C1)C2C3=CC=CC=C3CCC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H23ClN2/c1-22(2)17-12-23(13-17)20-18-6-4-3-5-14(18)7-8-15-9-10-16(21)11-19(15)20/h3-6,9-11,17,20H,7-8,12-13H2,1-2H3
InChIKey
JULUTFWMVADLBK-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,N-dimethylazetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.15497 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16225 172.4
[M+Na]+ 349.14419 181.7
[M+NH4]+ 344.18879 178.3
[M+K]+ 365.11813 175.6
[M-H]- 325.14769 175.6
[M+Na-2H]- 347.12964 177.2
[M]+ 326.15442 174.1
[M]- 326.15552 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

literature stripe

Patent stripe

No patent data available for this compound.