CID 216254

Hydroxindasol

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC1=C(C2=C(N1CC3=CC=C(C=C3)OC)C=CC(=C2)O)CCN
InChI
InChI=1S/C19H22N2O2/c1-13-17(9-10-20)18-11-15(22)5-8-19(18)21(13)12-14-3-6-16(23-2)7-4-14/h3-8,11,22H,9-10,12,20H2,1-2H3
InChIKey
AYYHIZJKRIKWCE-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1-[(4-methoxyphenyl)methyl]-2-methylindol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

310.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 174.4
[M+Na]+ 333.15734 184.2
[M-H]- 309.16084 180.1
[M+NH4]+ 328.20194 190.3
[M+K]+ 349.13128 178.3
[M+H-H2O]+ 293.16538 166.5
[M+HCOO]- 355.16632 197.0
[M+CH3COO]- 369.18197 208.7
[M+Na-2H]- 331.14279 176.7
[M]+ 310.16757 178.1
[M]- 310.16867 178.1
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.