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

10
Patents

265.18304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.19032 161.6
[M+Na]+ 288.17226 166.5
[M-H]- 264.17576 167.5
[M+NH4]+ 283.21686 179.2
[M+K]+ 304.14620 165.1
[M+H-H2O]+ 248.18030 156.3
[M+HCOO]- 310.18124 181.6
[M+CH3COO]- 324.19689 172.4
[M+Na-2H]- 286.15771 168.3
[M]+ 265.18249 158.2
[M]- 265.18359 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