CID 509873

Schembl7486140

Structural Information

Molecular Formula
C17H15Cl2N5OS
SMILES
C1=CC=C(C=C1)NCCNC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H15Cl2N5OS/c18-13-7-6-11(10-14(13)19)15(25)22-17-24-23-16(26-17)21-9-8-20-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2,(H,21,23)(H,22,24,25)
InChIKey
AKSXZPLBEQQXLZ-UHFFFAOYSA-N
Compound name
N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-3,4-dichlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

407.03745 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.04473 189.1
[M+Na]+ 430.02667 197.0
[M-H]- 406.03017 196.1
[M+NH4]+ 425.07127 199.9
[M+K]+ 446.00061 188.9
[M+H-H2O]+ 390.03471 180.4
[M+HCOO]- 452.03565 199.7
[M+CH3COO]- 466.05130 198.1
[M+Na-2H]- 428.01212 190.5
[M]+ 407.03690 193.4
[M]- 407.03800 193.4
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