CID 206877

Brn 0423547

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CN(C)CCCNC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C=O
InChI
InChI=1S/C16H21N3O3/c1-19(2)8-4-7-17-16(21)15-13(10-20)12-9-11(22-3)5-6-14(12)18-15/h5-6,9-10,18H,4,7-8H2,1-3H3,(H,17,21)
InChIKey
IHNSSXHRUPMZHF-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-3-formyl-5-methoxy-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.165576 170.9
[M+Na]+ 326.147518 178.2
[M-H]- 302.151024 174.6
[M+NH4]+ 321.192123 187.2
[M+K]+ 342.121458 175.3
[M+H-H2O]+ 286.155560 163.2
[M+HCOO]- 348.156501 194.9
[M+CH3COO]- 362.172151 211.2
[M+Na-2H]- 324.132966 173.6
[M]+ 303.15775142 176.0
[M]- 303.15884858 176.0
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.