CID 37416

5h-benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-n-(3,3-diphenylpropyl)-, hydrochloride

Structural Information

Molecular Formula
C26H29N
SMILES
C1CCC2=CC=CC=C2C(C1)NCCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H29N/c1-3-11-21(12-4-1)24(22-13-5-2-6-14-22)19-20-27-26-18-10-8-16-23-15-7-9-17-25(23)26/h1-7,9,11-15,17,24,26-27H,8,10,16,18-20H2
InChIKey
KQJSSPVMLWUZSA-UHFFFAOYSA-N
Compound name
N-(3,3-diphenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.23 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.23728 189.8
[M+Na]+ 378.21922 190.8
[M-H]- 354.22272 198.9
[M+NH4]+ 373.26382 201.3
[M+K]+ 394.19316 188.2
[M+H-H2O]+ 338.22726 181.9
[M+HCOO]- 400.22820 207.6
[M+CH3COO]- 414.24385 197.5
[M+Na-2H]- 376.20467 192.7
[M]+ 355.22945 182.3
[M]- 355.23055 182.3
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.