CID 489461

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

Structural Information

Molecular Formula
C21H27N5O
SMILES
CCNC1=C(N=CC=C1)N(C)CCCN(C)C(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C21H27N5O/c1-4-22-18-11-7-12-23-20(18)25(2)13-8-14-26(3)21(27)19-15-16-9-5-6-10-17(16)24-19/h5-7,9-12,15,22,24H,4,8,13-14H2,1-3H3
InChIKey
SQCPHYSHZQBOLT-UHFFFAOYSA-N
Compound name
N-[3-[[3-(ethylamino)pyridin-2-yl]-methylamino]propyl]-N-methyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.22156 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.22884 189.0
[M+Na]+ 388.21078 193.6
[M-H]- 364.21428 195.3
[M+NH4]+ 383.25538 201.0
[M+K]+ 404.18472 189.6
[M+H-H2O]+ 348.21882 178.3
[M+HCOO]- 410.21976 212.3
[M+CH3COO]- 424.23541 228.2
[M+Na-2H]- 386.19623 192.3
[M]+ 365.22101 191.9
[M]- 365.22211 191.9
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

No patent data available for this compound.