CID 489462

1h-indole-2-carboxamide, n-[6-[[3-(ethylamino)-2-pyridinyl]methylamino]hexyl]-n-methyl-

Structural Information

Molecular Formula
C24H33N5O
SMILES
CCNC1=C(N=CC=C1)N(C)CCCCCCN(C)C(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C24H33N5O/c1-4-25-21-14-11-15-26-23(21)28(2)16-9-5-6-10-17-29(3)24(30)22-18-19-12-7-8-13-20(19)27-22/h7-8,11-15,18,25,27H,4-6,9-10,16-17H2,1-3H3
InChIKey
LWKSONWCVJKDHL-UHFFFAOYSA-N
Compound name
N-[6-[[3-(ethylamino)pyridin-2-yl]-methylamino]hexyl]-N-methyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.26852 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.27580 202.3
[M+Na]+ 430.25774 205.4
[M-H]- 406.26124 207.9
[M+NH4]+ 425.30234 212.4
[M+K]+ 446.23168 200.8
[M+H-H2O]+ 390.26578 190.9
[M+HCOO]- 452.26672 224.5
[M+CH3COO]- 466.28237 237.0
[M+Na-2H]- 428.24319 204.0
[M]+ 407.26797 206.1
[M]- 407.26907 206.1
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.