CID 60296

109095-28-5

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
CN(C)CCC(C1=CC=C(C=C1)Cl)(C2=CNC3=CC=CC=C32)O
InChI
InChI=1S/C19H21ClN2O/c1-22(2)12-11-19(23,14-7-9-15(20)10-8-14)17-13-21-18-6-4-3-5-16(17)18/h3-10,13,21,23H,11-12H2,1-2H3
InChIKey
FMXRHKSUKFXUDW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(dimethylamino)-1-(1H-indol-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13425 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14153 178.6
[M+Na]+ 351.12347 186.6
[M-H]- 327.12697 183.7
[M+NH4]+ 346.16807 194.0
[M+K]+ 367.09741 179.7
[M+H-H2O]+ 311.13151 171.2
[M+HCOO]- 373.13245 194.4
[M+CH3COO]- 387.14810 208.4
[M+Na-2H]- 349.10892 183.0
[M]+ 328.13370 181.7
[M]- 328.13480 181.7
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.