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]+ 304.16558 170.9
[M+Na]+ 326.14752 178.2
[M-H]- 302.15102 174.6
[M+NH4]+ 321.19212 187.2
[M+K]+ 342.12146 175.3
[M+H-H2O]+ 286.15556 163.2
[M+HCOO]- 348.15650 194.9
[M+CH3COO]- 362.17215 211.2
[M+Na-2H]- 324.13297 173.6
[M]+ 303.15775 176.0
[M]- 303.15885 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.