CID 24888322

Y1fug6z8kl

Structural Information

Molecular Formula
C21H23N3O
SMILES
CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)N
InChI
InChI=1S/C21H23N3O/c1-15-18(19-4-2-3-5-20(19)24-15)12-13-23-14-17-8-6-16(7-9-17)10-11-21(22)25/h2-11,23-24H,12-14H2,1H3,(H2,22,25)/b11-10+
InChIKey
VOZMMIFGJRFSNT-ZHACJKMWSA-N
Compound name
(E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

333.1841 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.191376 181.2
[M+Na]+ 356.173318 187.8
[M-H]- 332.176824 185.8
[M+NH4]+ 351.217923 195.0
[M+K]+ 372.147258 180.2
[M+H-H2O]+ 316.181360 172.4
[M+HCOO]- 378.182301 203.4
[M+CH3COO]- 392.197951 214.0
[M+Na-2H]- 354.158766 183.3
[M]+ 333.18355142 180.5
[M]- 333.18464858 180.5
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

patents stripe