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]+ 234.06957 149.6
[M+Na]+ 256.05151 158.2
[M-H]- 232.05501 154.4
[M+NH4]+ 251.09611 166.9
[M+K]+ 272.02545 154.4
[M+H-H2O]+ 216.05955 141.7
[M+HCOO]- 278.06049 168.7
[M+CH3COO]- 292.07614 190.0
[M+Na-2H]- 254.03696 152.3
[M]+ 233.06174 151.7
[M]- 233.06284 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