CID 203613

14760-55-5

Structural Information

Molecular Formula
C23H32N2
SMILES
CCN(CC)CCCN1CC(CCC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C23H32N2/c1-3-24(4-2)17-10-18-25-19-22(20-11-6-5-7-12-20)16-15-21-13-8-9-14-23(21)25/h5-9,11-14,22H,3-4,10,15-19H2,1-2H3
InChIKey
XQEVOZNBZIKIDB-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(3-phenyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.25656 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.263836 184.4
[M+Na]+ 359.245778 186.6
[M-H]- 335.249284 191.2
[M+NH4]+ 354.290383 197.0
[M+K]+ 375.219718 185.9
[M+H-H2O]+ 319.253820 175.5
[M+HCOO]- 381.254761 202.3
[M+CH3COO]- 395.270411 192.9
[M+Na-2H]- 357.231226 186.6
[M]+ 336.25601142 181.2
[M]- 336.25710858 181.2
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

No patent data available for this compound.