CID 6478903

Schembl7481131

Structural Information

Molecular Formula
C19H18N4OS
SMILES
C1=CC=C(C=C1)CCNC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C19H18N4OS/c24-17(12-11-15-7-3-1-4-8-15)21-19-23-22-18(25-19)20-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,22)(H,21,23,24)/b12-11+
InChIKey
UVTNZOIUOSFJLU-VAWYXSNFSA-N
Compound name
(E)-3-phenyl-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

350.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12740 180.6
[M+Na]+ 373.10934 186.6
[M-H]- 349.11284 187.6
[M+NH4]+ 368.15394 192.2
[M+K]+ 389.08328 179.5
[M+H-H2O]+ 333.11738 170.6
[M+HCOO]- 395.11832 199.7
[M+CH3COO]- 409.13397 190.2
[M+Na-2H]- 371.09479 182.9
[M]+ 350.11957 181.3
[M]- 350.12067 181.3
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