CID 206880

Brn 0412323

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCN(CC)C(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C=O
InChI
InChI=1S/C15H18N2O3/c1-4-17(5-2)15(19)14-12(9-18)11-8-10(20-3)6-7-13(11)16-14/h6-9,16H,4-5H2,1-3H3
InChIKey
QFAZJCFBYQXBBI-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-formyl-5-methoxy-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 162.7
[M+Na]+ 297.12096 171.5
[M-H]- 273.12446 166.7
[M+NH4]+ 292.16556 180.6
[M+K]+ 313.09490 168.7
[M+H-H2O]+ 257.12900 155.7
[M+HCOO]- 319.12994 186.1
[M+CH3COO]- 333.14559 203.0
[M+Na-2H]- 295.10641 165.4
[M]+ 274.13119 168.3
[M]- 274.13229 168.3
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

No patent data available for this compound.