CID 47177

64058-63-5

Structural Information

Molecular Formula
C25H35ClN2
SMILES
CC(C)N(CCCN1CC(CCC2=CC=CC=C21)C3=CC=C(C=C3)Cl)C(C)C
InChI
InChI=1S/C25H35ClN2/c1-19(2)28(20(3)4)17-7-16-27-18-23(21-12-14-24(26)15-13-21)11-10-22-8-5-6-9-25(22)27/h5-6,8-9,12-15,19-20,23H,7,10-11,16-18H2,1-4H3
InChIKey
PVTZHDYDAGYCAX-UHFFFAOYSA-N
Compound name
3-[3-(4-chlorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N,N-di(propan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.24887 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.25615 199.3
[M+Na]+ 421.23809 210.6
[M+NH4]+ 416.28269 207.1
[M+K]+ 437.21203 202.7
[M-H]- 397.24159 204.4
[M+Na-2H]- 419.22354 205.2
[M]+ 398.24832 202.8
[M]- 398.24942 202.8
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.