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 175.0
[M+Na]+ 349.14419 182.1
[M-H]- 325.14769 183.2
[M+NH4]+ 344.18879 184.8
[M+K]+ 365.11813 182.2
[M+H-H2O]+ 309.15223 163.5
[M+HCOO]- 371.15317 188.2
[M+CH3COO]- 385.16882 185.0
[M+Na-2H]- 347.12964 178.2
[M]+ 326.15442 181.8
[M]- 326.15552 181.8
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.