CID 6478883

Schembl7480810

Structural Information

Molecular Formula
C19H19N5OS
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)NCCNC3=CC=CC=C3
InChI
InChI=1S/C19H19N5OS/c25-17(12-11-15-7-3-1-4-8-15)22-19-24-23-18(26-19)21-14-13-20-16-9-5-2-6-10-16/h1-12,20H,13-14H2,(H,21,23)(H,22,24,25)/b12-11+
InChIKey
XFZYWCQZYSDWJW-VAWYXSNFSA-N
Compound name
(E)-N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

365.13104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13832 181.8
[M+Na]+ 388.12026 186.7
[M-H]- 364.12376 188.7
[M+NH4]+ 383.16486 192.4
[M+K]+ 404.09420 179.7
[M+H-H2O]+ 348.12830 171.4
[M+HCOO]- 410.12924 201.9
[M+CH3COO]- 424.14489 190.8
[M+Na-2H]- 386.10571 185.3
[M]+ 365.13049 181.8
[M]- 365.13159 181.8
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