CID 509858

Schembl7486855

Structural Information

Molecular Formula
C18H19N5OS
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NCCNC3=CC=CC=C3
InChI
InChI=1S/C18H19N5OS/c1-13-7-9-14(10-8-13)16(24)21-18-23-22-17(25-18)20-12-11-19-15-5-3-2-4-6-15/h2-10,19H,11-12H2,1H3,(H,20,22)(H,21,23,24)
InChIKey
UGIXRXZUCMBMGH-UHFFFAOYSA-N
Compound name
N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

353.13104 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13832 178.9
[M+Na]+ 376.12026 184.8
[M-H]- 352.12376 186.3
[M+NH4]+ 371.16486 190.2
[M+K]+ 392.09420 178.6
[M+H-H2O]+ 336.12830 168.8
[M+HCOO]- 398.12924 199.1
[M+CH3COO]- 412.14489 188.6
[M+Na-2H]- 374.10571 182.0
[M]+ 353.13049 179.8
[M]- 353.13159 179.8
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