CID 489458

1h-indole-2-carboxamide, 5-methoxy-n-methyl-n-[2-[methyl[3-[(1-methylethyl)amino]-2-pyridinyl]amino]ethyl]-

Structural Information

Molecular Formula
C22H29N5O2
SMILES
CC(C)NC1=C(N=CC=C1)N(C)CCN(C)C(=O)C2=CC3=C(N2)C=CC(=C3)OC
InChI
InChI=1S/C22H29N5O2/c1-15(2)24-19-7-6-10-23-21(19)26(3)11-12-27(4)22(28)20-14-16-13-17(29-5)8-9-18(16)25-20/h6-10,13-15,24-25H,11-12H2,1-5H3
InChIKey
UYMNAHQCKCAQCZ-UHFFFAOYSA-N
Compound name
5-methoxy-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

395.23212 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.23940 197.4
[M+Na]+ 418.22134 201.8
[M-H]- 394.22484 204.0
[M+NH4]+ 413.26594 208.2
[M+K]+ 434.19528 199.1
[M+H-H2O]+ 378.22938 186.8
[M+HCOO]- 440.23032 219.5
[M+CH3COO]- 454.24597 235.5
[M+Na-2H]- 416.20679 198.4
[M]+ 395.23157 201.8
[M]- 395.23267 201.8
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.