CID 3053005

2-(phenacylamino)-5-methyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CC1=NN=C(S1)NCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3OS/c1-8-13-14-11(16-8)12-7-10(15)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,14)
InChIKey
ZJHDOYROHOPXHV-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.06229 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.069566 149.6
[M+Na]+ 256.051508 158.2
[M-H]- 232.055014 154.4
[M+NH4]+ 251.096113 166.9
[M+K]+ 272.025448 154.4
[M+H-H2O]+ 216.059550 141.7
[M+HCOO]- 278.060491 168.7
[M+CH3COO]- 292.076141 190.0
[M+Na-2H]- 254.036956 152.3
[M]+ 233.06174142 151.7
[M]- 233.06283858 151.7
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

patents stripe