CID 71594611

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

Structural Information

Molecular Formula
C17H16BrN5OS
SMILES
CC1=CC=CN2C1=NC(=C2C(=O)NNC(=S)NC3=CC=C(C=C3)Br)C
InChI
InChI=1S/C17H16BrN5OS/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
DAHGDTSCCZUOCR-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-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

417.02588 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.03316 178.9
[M+Na]+ 440.01510 190.5
[M-H]- 416.01860 187.4
[M+NH4]+ 435.05970 193.6
[M+K]+ 455.98904 176.3
[M+H-H2O]+ 400.02314 176.2
[M+HCOO]- 462.02408 196.0
[M+CH3COO]- 476.03973 191.0
[M+Na-2H]- 438.00055 183.2
[M]+ 417.02533 199.8
[M]- 417.02643 199.8
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.