CID 489459

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

Structural Information

Molecular Formula
C21H26FN5O
SMILES
CC(C)NC1=C(N=CC=C1)N(C)CCN(C)C(=O)C2=CC3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C21H26FN5O/c1-14(2)24-18-6-5-9-23-20(18)26(3)10-11-27(4)21(28)19-13-15-12-16(22)7-8-17(15)25-19/h5-9,12-14,24-25H,10-11H2,1-4H3
InChIKey
KNNUYCCKPWKBAB-UHFFFAOYSA-N
Compound name
5-fluoro-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

383.21213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21941 192.9
[M+Na]+ 406.20135 198.1
[M-H]- 382.20485 198.3
[M+NH4]+ 401.24595 204.3
[M+K]+ 422.17529 194.3
[M+H-H2O]+ 366.20939 181.7
[M+HCOO]- 428.21033 214.1
[M+CH3COO]- 442.22598 233.0
[M+Na-2H]- 404.18680 193.7
[M]+ 383.21158 194.7
[M]- 383.21268 194.7
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.