CID 6478886

(e)-n-(5-{[2-(acetylamino)ethyl]amino}-1,3,4-thiadiazol-2-yl)3-phenyl-2-propenamide

Structural Information

Molecular Formula
C14H15N5O2S
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)NCCNC=O
InChI
InChI=1S/C14H15N5O2S/c20-10-15-8-9-16-13-18-19-14(22-13)17-12(21)7-6-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,20)(H,16,18)(H,17,19,21)/b7-6+
InChIKey
JFVBQKOCPDIMIK-VOTSOKGWSA-N
Compound name
(E)-N-[5-(2-formamidoethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10192 169.7
[M+Na]+ 340.08386 175.4
[M-H]- 316.08736 173.8
[M+NH4]+ 335.12846 182.5
[M+K]+ 356.05780 170.1
[M+H-H2O]+ 300.09190 160.2
[M+HCOO]- 362.09284 190.3
[M+CH3COO]- 376.10849 208.3
[M+Na-2H]- 338.06931 172.8
[M]+ 317.09409 171.0
[M]- 317.09519 171.0
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.