CID 25099474

1068967-96-3

Structural Information

Molecular Formula
C20H16FN5O
SMILES
CC1=CN(C2=C1C=C(C=C2)F)NC(=O)C3=CN=C(N=C3C)C4=CC=CC=N4
InChI
InChI=1S/C20H16FN5O/c1-12-11-26(18-7-6-14(21)9-15(12)18)25-20(27)16-10-23-19(24-13(16)2)17-5-3-4-8-22-17/h3-11H,1-2H3,(H,25,27)
InChIKey
YNVKAENVJKEMOU-UHFFFAOYSA-N
Compound name
N-(5-fluoro-3-methylindol-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

361.13388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.141156 186.6
[M+Na]+ 384.123098 197.7
[M-H]- 360.126604 192.2
[M+NH4]+ 379.167703 196.2
[M+K]+ 400.097038 189.8
[M+H-H2O]+ 344.131140 174.1
[M+HCOO]- 406.132081 205.8
[M+CH3COO]- 420.147731 196.6
[M+Na-2H]- 382.108546 190.0
[M]+ 361.13333142 188.3
[M]- 361.13442858 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe