CID 59277581

Schembl1254248

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCN1C=CC2=C(C=CC=C21)CN(C)C(=O)C=C
InChI
InChI=1S/C15H18N2O/c1-4-15(18)16(3)11-12-7-6-8-14-13(12)9-10-17(14)5-2/h4,6-10H,1,5,11H2,2-3H3
InChIKey
BWHCTFDPJKQELS-UHFFFAOYSA-N
Compound name
N-[(1-ethylindol-4-yl)methyl]-N-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

242.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.8
[M+Na]+ 265.13112 165.4
[M-H]- 241.13462 161.7
[M+NH4]+ 260.17572 176.6
[M+K]+ 281.10506 162.2
[M+H-H2O]+ 225.13916 149.5
[M+HCOO]- 287.14010 181.3
[M+CH3COO]- 301.15575 200.2
[M+Na-2H]- 263.11657 160.4
[M]+ 242.14135 160.9
[M]- 242.14245 160.9
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