CID 205514

18128-57-9

Structural Information

Molecular Formula
C26H29N
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2CC3=CC=CC=C3CC4=CC=CC=C4C2
InChI
InChI=1S/C26H29N/c1-26(2,3)25-14-12-20(13-15-25)17-27-18-23-10-6-4-8-21(23)16-22-9-5-7-11-24(22)19-27/h4-15H,16-19H2,1-3H3
InChIKey
TVWDSTOLKBSQGQ-UHFFFAOYSA-N
Compound name
11-[(4-tert-butylphenyl)methyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
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 176.5
[M+Na]+ 378.21922 180.7
[M-H]- 354.22272 179.3
[M+NH4]+ 373.26382 182.5
[M+K]+ 394.19316 178.2
[M+H-H2O]+ 338.22726 170.8
[M+HCOO]- 400.22820 182.8
[M+CH3COO]- 414.24385 179.6
[M+Na-2H]- 376.20467 176.0
[M]+ 355.22945 175.5
[M]- 355.23055 175.5
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.