CID 135417147

28717-85-3

Structural Information

Molecular Formula
C20H23ClN2O
SMILES
COCCCN=C1C(CCC2=CC=CC=C2N1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H23ClN2O/c1-24-14-4-13-22-20-18(15-7-10-17(21)11-8-15)12-9-16-5-2-3-6-19(16)23-20/h2-3,5-8,10-11,18H,4,9,12-14H2,1H3,(H,22,23)
InChIKey
NLFWGQDTCIATSO-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-(3-methoxypropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1499 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.157176 181.6
[M+Na]+ 365.139118 187.6
[M-H]- 341.142624 187.6
[M+NH4]+ 360.183723 194.7
[M+K]+ 381.113058 185.1
[M+H-H2O]+ 325.147160 173.3
[M+HCOO]- 387.148101 196.2
[M+CH3COO]- 401.163751 190.8
[M+Na-2H]- 363.124566 185.0
[M]+ 342.14935142 179.4
[M]- 342.15044858 179.4
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.