CID 489469

1h-indole-2-carboxamide, n-[2-[[3-(ethylamino)-2-pyridinyl]methylamino]ethyl]-n-methyl-

Structural Information

Molecular Formula
C20H25N5O
SMILES
CCNC1=C(N=CC=C1)N(C)CCN(C)C(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C20H25N5O/c1-4-21-17-10-7-11-22-19(17)24(2)12-13-25(3)20(26)18-14-15-8-5-6-9-16(15)23-18/h5-11,14,21,23H,4,12-13H2,1-3H3
InChIKey
BNIOAEUSHWHUOM-UHFFFAOYSA-N
Compound name
N-[2-[[3-(ethylamino)pyridin-2-yl]-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.2059 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21318 184.6
[M+Na]+ 374.19512 189.6
[M-H]- 350.19862 191.0
[M+NH4]+ 369.23972 197.1
[M+K]+ 390.16906 185.8
[M+H-H2O]+ 334.20316 174.0
[M+HCOO]- 396.20410 208.2
[M+CH3COO]- 410.21975 225.3
[M+Na-2H]- 372.18057 188.4
[M]+ 351.20535 187.1
[M]- 351.20645 187.1
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.