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]+ 343.15718 181.6
[M+Na]+ 365.13912 187.6
[M-H]- 341.14262 187.6
[M+NH4]+ 360.18372 194.7
[M+K]+ 381.11306 185.1
[M+H-H2O]+ 325.14716 173.3
[M+HCOO]- 387.14810 196.2
[M+CH3COO]- 401.16375 190.8
[M+Na-2H]- 363.12457 185.0
[M]+ 342.14935 179.4
[M]- 342.15045 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.