CID 64175

Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(1-adamantyl)-

Structural Information

Molecular Formula
C25H29N
SMILES
C1C2CC3CC1CC(C2)(C3)N4CC5=CC=CC=C5CC6=CC=CC=C6C4
InChI
InChI=1S/C25H29N/c1-3-7-23-16-26(17-24-8-4-2-6-22(24)12-21(23)5-1)25-13-18-9-19(14-25)11-20(10-18)15-25/h1-8,18-20H,9-17H2
InChIKey
CCFPDWPNHCCJCO-UHFFFAOYSA-N
Compound name
11-(1-adamantyl)-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.23 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.23728 196.0
[M+Na]+ 366.21922 197.0
[M-H]- 342.22272 194.7
[M+NH4]+ 361.26382 203.9
[M+K]+ 382.19316 193.8
[M+H-H2O]+ 326.22726 187.7
[M+HCOO]- 388.22820 195.0
[M+CH3COO]- 402.24385 195.6
[M+Na-2H]- 364.20467 193.9
[M]+ 343.22945 192.8
[M]- 343.23055 192.8
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.