CID 3048900

Brn 0450413

Structural Information

Molecular Formula
C25H35N3
SMILES
CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)CN4CCCCC4
InChI
InChI=1S/C25H35N3/c1-26(2)15-8-18-28-24-10-5-4-9-22(24)12-13-23-19-21(11-14-25(23)28)20-27-16-6-3-7-17-27/h4-5,9-11,14,19H,3,6-8,12-13,15-18,20H2,1-2H3
InChIKey
ZSSZMECGPJBNIW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[3-(piperidin-1-ylmethyl)-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.2831 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.29038 195.7
[M+Na]+ 400.27232 197.7
[M-H]- 376.27582 201.5
[M+NH4]+ 395.31692 206.2
[M+K]+ 416.24626 195.5
[M+H-H2O]+ 360.28036 185.0
[M+HCOO]- 422.28130 208.6
[M+CH3COO]- 436.29695 202.4
[M+Na-2H]- 398.25777 197.1
[M]+ 377.28255 189.9
[M]- 377.28365 189.9
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.