CID 71594601

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

Structural Information

Molecular Formula
C18H19N5OS
SMILES
CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(N=C3N2C=CC=C3C)C
InChI
InChI=1S/C18H19N5OS/c1-11-6-8-14(9-7-11)20-18(25)22-21-17(24)15-13(3)19-16-12(2)5-4-10-23(15)16/h4-10H,1-3H3,(H,21,24)(H2,20,22,25)
InChIKey
USLIRYIICWOYGU-UHFFFAOYSA-N
Compound name
1-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13832 183.0
[M+Na]+ 376.12026 191.8
[M-H]- 352.12376 189.3
[M+NH4]+ 371.16486 196.5
[M+K]+ 392.09420 185.6
[M+H-H2O]+ 336.12830 174.5
[M+HCOO]- 398.12924 202.0
[M+CH3COO]- 412.14489 193.4
[M+Na-2H]- 374.10571 185.1
[M]+ 353.13049 186.2
[M]- 353.13159 186.2
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.