CID 71594596

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

Structural Information

Molecular Formula
C17H16ClN5OS
SMILES
CC1=CC=CN2C1=NC(=C2C(=O)NNC(=S)NC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C17H16ClN5OS/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
YQPHANGXEIJCQF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.07642 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08370 185.8
[M+Na]+ 396.06564 195.5
[M-H]- 372.06914 192.1
[M+NH4]+ 391.11024 199.3
[M+K]+ 412.03958 188.2
[M+H-H2O]+ 356.07368 178.1
[M+HCOO]- 418.07462 200.5
[M+CH3COO]- 432.09027 196.1
[M+Na-2H]- 394.05109 187.8
[M]+ 373.07587 190.7
[M]- 373.07697 190.7
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.