CID 15634

5h-dibenzo(a,d)cycloheptene-5-propylamine, 10,11-dihydro-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H23N
SMILES
CNCCCC1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C19H23N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,19-20H,6,11-14H2,1H3
InChIKey
VQDUUNLXNKNTSM-UHFFFAOYSA-N
Compound name
N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

265.18304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.190316 161.6
[M+Na]+ 288.172258 166.5
[M-H]- 264.175764 167.5
[M+NH4]+ 283.216863 179.2
[M+K]+ 304.146198 165.1
[M+H-H2O]+ 248.180300 156.3
[M+HCOO]- 310.181241 181.6
[M+CH3COO]- 324.196891 172.4
[M+Na-2H]- 286.157706 168.3
[M]+ 265.18249142 158.2
[M]- 265.18358858 158.2
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

patents stripe