CID 453407

136817-09-9

Structural Information

Molecular Formula
C21H27N5O
SMILES
CC(C)NC1=C(N=CC=C1)N(C)CCN(C)C(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C21H27N5O/c1-15(2)23-18-10-7-11-22-20(18)25(3)12-13-26(4)21(27)19-14-16-8-5-6-9-17(16)24-19/h5-11,14-15,23-24H,12-13H2,1-4H3
InChIKey
BWUOQPQLJPNGFD-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-[methyl-[3-(propan-2-ylamino)pyridin-2-yl]amino]ethyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.22156 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.22884 189.5
[M+Na]+ 388.21078 193.7
[M-H]- 364.21428 195.9
[M+NH4]+ 383.25538 201.4
[M+K]+ 404.18472 190.4
[M+H-H2O]+ 348.21882 179.0
[M+HCOO]- 410.21976 211.8
[M+CH3COO]- 424.23541 229.2
[M+Na-2H]- 386.19623 191.7
[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.