CID 104016768

{4-[(6-amino-1h-indol-1-yl)methyl]phenyl}methanol hydrochloride

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1=CC(=CC2=C1C=CN2CC3=CC=C(C=C3)CO)N
InChI
InChI=1S/C16H16N2O/c17-15-6-5-14-7-8-18(16(14)9-15)10-12-1-3-13(11-19)4-2-12/h1-9,19H,10-11,17H2
InChIKey
ZWSQIIMNYXMDMB-UHFFFAOYSA-N
Compound name
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 156.5
[M+Na]+ 275.11549 166.1
[M-H]- 251.11899 162.0
[M+NH4]+ 270.16009 174.3
[M+K]+ 291.08943 160.1
[M+H-H2O]+ 235.12353 148.9
[M+HCOO]- 297.12447 180.1
[M+CH3COO]- 311.14012 169.1
[M+Na-2H]- 273.10094 161.9
[M]+ 252.12572 157.0
[M]- 252.12682 157.0
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.