CID 44068

5h-dibenzo(a,d)cyclohepten-delta(sup 5),beta-ethylamine, 10,11-dihydro-n-(2-(aminomethyl)cyclopentyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H28N2
SMILES
C1CC(C(C1)NCC=C2C3=CC=CC=C3CCC4=CC=CC=C42)CN
InChI
InChI=1S/C23H28N2/c24-16-19-8-5-11-23(19)25-15-14-22-20-9-3-1-6-17(20)12-13-18-7-2-4-10-21(18)22/h1-4,6-7,9-10,14,19,23,25H,5,8,11-13,15-16,24H2
InChIKey
QYHCUSHEKCWYBX-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22525 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23253 182.6
[M+Na]+ 355.21447 185.6
[M-H]- 331.21797 190.4
[M+NH4]+ 350.25907 198.3
[M+K]+ 371.18841 181.9
[M+H-H2O]+ 315.22251 175.9
[M+HCOO]- 377.22345 201.0
[M+CH3COO]- 391.23910 191.2
[M+Na-2H]- 353.19992 183.5
[M]+ 332.22470 174.2
[M]- 332.22580 174.2
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.