CID 71594612

1-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea

Structural Information

Molecular Formula
C17H16FN5OS
SMILES
CC1=CC=CN2C1=NC(=C2C(=O)NNC(=S)NC3=CC=C(C=C3)F)C
InChI
InChI=1S/C17H16FN5OS/c1-10-4-3-9-23-14(11(2)19-15(10)23)16(24)21-22-17(25)20-13-7-5-12(18)6-8-13/h3-9H,1-2H3,(H,21,24)(H2,20,22,25)
InChIKey
LBTCHPPBWZIQGT-UHFFFAOYSA-N
Compound name
1-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.10596 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11324 180.6
[M+Na]+ 380.09518 189.9
[M-H]- 356.09868 185.7
[M+NH4]+ 375.13978 193.9
[M+K]+ 396.06912 183.4
[M+H-H2O]+ 340.10322 171.3
[M+HCOO]- 402.10416 198.9
[M+CH3COO]- 416.11981 190.9
[M+Na-2H]- 378.08063 182.7
[M]+ 357.10541 182.5
[M]- 357.10651 182.5
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.