CID 3003057

1-[(4-methylthiadiazole-5-carbonyl)amino]-3-(2-naphthyl)thiourea

Structural Information

Molecular Formula
C15H13N5OS2
SMILES
CC1=C(SN=N1)C(=O)NNC(=S)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C15H13N5OS2/c1-9-13(23-20-17-9)14(21)18-19-15(22)16-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,21)(H2,16,19,22)
InChIKey
RPVXTYRRAGLPOA-UHFFFAOYSA-N
Compound name
1-[(4-methylthiadiazole-5-carbonyl)amino]-3-naphthalen-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.05615 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.06343 172.3
[M+Na]+ 366.04537 181.2
[M-H]- 342.04887 177.8
[M+NH4]+ 361.08997 186.1
[M+K]+ 382.01931 174.1
[M+H-H2O]+ 326.05341 164.8
[M+HCOO]- 388.05435 186.9
[M+CH3COO]- 402.07000 182.6
[M+Na-2H]- 364.03082 176.6
[M]+ 343.05560 174.7
[M]- 343.05670 174.7
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.