CID 5018

7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol

Structural Information

Molecular Formula
C17H18ClNO
SMILES
CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)O)Cl
InChI
InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
InChIKey
GOTMKOSCLKVOGG-UHFFFAOYSA-N
Compound name
8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1077
References

1579
Patents

287.1077 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.114976 164.2
[M+Na]+ 310.096918 172.4
[M-H]- 286.100424 169.9
[M+NH4]+ 305.141523 179.4
[M+K]+ 326.070858 170.3
[M+H-H2O]+ 270.104960 157.5
[M+HCOO]- 332.105901 177.3
[M+CH3COO]- 346.121551 175.0
[M+Na-2H]- 308.082366 167.7
[M]+ 287.10715142 161.0
[M]- 287.10824858 161.0
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.