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

13
Patents

242.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 156.8
[M+Na]+ 265.131118 165.4
[M-H]- 241.134624 161.7
[M+NH4]+ 260.175723 176.6
[M+K]+ 281.105058 162.2
[M+H-H2O]+ 225.139160 149.5
[M+HCOO]- 287.140101 181.3
[M+CH3COO]- 301.155751 200.2
[M+Na-2H]- 263.116566 160.4
[M]+ 242.14135142 160.9
[M]- 242.14244858 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