CID 118753189

Chembl3526942

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CC1=C(C2=C(N1)C=C(C=C2)O)CCNCC3=CC=C(C=C3)/C=C/C(=O)N
InChI
InChI=1S/C21H23N3O2/c1-14-18(19-8-7-17(25)12-20(19)24-14)10-11-23-13-16-4-2-15(3-5-16)6-9-21(22)26/h2-9,12,23-25H,10-11,13H2,1H3,(H2,22,26)/b9-6+
InChIKey
UBAQJMHJQGDBBO-RMKNXTFCSA-N
Compound name
(E)-3-[4-[[2-(6-hydroxy-2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.17902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 184.5
[M+Na]+ 372.16824 191.3
[M-H]- 348.17174 188.2
[M+NH4]+ 367.21284 197.1
[M+K]+ 388.14218 183.7
[M+H-H2O]+ 332.17628 176.1
[M+HCOO]- 394.17722 205.3
[M+CH3COO]- 408.19287 215.3
[M+Na-2H]- 370.15369 185.5
[M]+ 349.17847 183.8
[M]- 349.17957 183.8
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

No patent data available for this compound.