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]+ 337.26384 184.4
[M+Na]+ 359.24578 186.6
[M-H]- 335.24928 191.2
[M+NH4]+ 354.29038 197.0
[M+K]+ 375.21972 185.9
[M+H-H2O]+ 319.25382 175.5
[M+HCOO]- 381.25476 202.3
[M+CH3COO]- 395.27041 192.9
[M+Na-2H]- 357.23123 186.6
[M]+ 336.25601 181.2
[M]- 336.25711 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.