CID 367669

Nsc637598

Structural Information

Molecular Formula
C12H13N5O2S
SMILES
CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)NNC(=O)N
InChI
InChI=1S/C12H13N5O2S/c1-7-9(10(18)16-17-11(13)19)20-12(14-7)15-8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)(H,16,18)(H3,13,17,19)
InChIKey
YJUMDISUEASESU-UHFFFAOYSA-N
Compound name
[(2-anilino-4-methyl-1,3-thiazole-5-carbonyl)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.079 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08628 162.9
[M+Na]+ 314.06822 168.8
[M-H]- 290.07172 168.5
[M+NH4]+ 309.11282 177.7
[M+K]+ 330.04216 165.0
[M+H-H2O]+ 274.07626 154.3
[M+HCOO]- 336.07720 184.3
[M+CH3COO]- 350.09285 206.8
[M+Na-2H]- 312.05367 164.8
[M]+ 291.07845 161.8
[M]- 291.07955 161.8
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.