CID 509842

Schembl7484441

Structural Information

Molecular Formula
C17H14Cl2N4OS
SMILES
C1=CC=C(C=C1)CCNC2=NN=C(S2)NC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H14Cl2N4OS/c18-12-7-4-8-13(19)14(12)15(24)21-17-23-22-16(25-17)20-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,20,22)(H,21,23,24)
InChIKey
XCRBWVXZANQHOI-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.02655 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.03383 186.5
[M+Na]+ 415.01577 195.4
[M-H]- 391.01927 193.6
[M+NH4]+ 410.06037 198.3
[M+K]+ 430.98971 187.3
[M+H-H2O]+ 375.02381 178.0
[M+HCOO]- 437.02475 196.1
[M+CH3COO]- 451.04040 196.1
[M+Na-2H]- 413.00122 186.9
[M]+ 392.02600 191.4
[M]- 392.02710 191.4
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