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
2
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]+ 311.175396 174.4
[M+Na]+ 333.157338 184.2
[M-H]- 309.160844 180.1
[M+NH4]+ 328.201943 190.3
[M+K]+ 349.131278 178.3
[M+H-H2O]+ 293.165380 166.5
[M+HCOO]- 355.166321 197.0
[M+CH3COO]- 369.181971 208.7
[M+Na-2H]- 331.142786 176.7
[M]+ 310.16757142 178.1
[M]- 310.16866858 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

patents stripe