CID 112475381

2896-99-3

Structural Information

Molecular Formula
C17H18ClNO
SMILES
C1CC1CNC2=C(C=C(C=C2)Cl)C(C3=CC=CC=C3)O
InChI
InChI=1S/C17H18ClNO/c18-14-8-9-16(19-11-12-6-7-12)15(10-14)17(20)13-4-2-1-3-5-13/h1-5,8-10,12,17,19-20H,6-7,11H2
InChIKey
UBFGPBAYWABTDN-UHFFFAOYSA-N
Compound name
[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

287.1077 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.114976 156.6
[M+Na]+ 310.096918 164.6
[M-H]- 286.100424 165.1
[M+NH4]+ 305.141523 167.4
[M+K]+ 326.070858 158.2
[M+H-H2O]+ 270.104960 149.8
[M+HCOO]- 332.105901 175.3
[M+CH3COO]- 346.121551 167.9
[M+Na-2H]- 308.082366 161.1
[M]+ 287.10715142 159.2
[M]- 287.10824858 159.2
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