CID 3036864

87075-17-0

Structural Information

Molecular Formula
C17H18ClNO
SMILES
CN1CCC2=CC(=C(C=C2[C@H](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/t15-/m1/s1
InChIKey
GOTMKOSCLKVOGG-OAHLLOKOSA-N
Compound name
(5R)-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

1057
References

493
Patents

287.1077 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11498 164.2
[M+Na]+ 310.09692 172.4
[M-H]- 286.10042 169.9
[M+NH4]+ 305.14152 179.4
[M+K]+ 326.07086 170.3
[M+H-H2O]+ 270.10496 157.5
[M+HCOO]- 332.10590 177.3
[M+CH3COO]- 346.12155 175.0
[M+Na-2H]- 308.08237 167.7
[M]+ 287.10715 161.0
[M]- 287.10825 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

literature stripe

Patent stripe

patents stripe