CID 509915

Schembl7489374

Structural Information

Molecular Formula
C19H18Cl2N4OS
SMILES
C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C19H18Cl2N4OS/c20-14-10-6-11-15(21)16(14)17(26)23-19-25-24-18(27-19)22-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12H2,(H,22,24)(H,23,25,26)
InChIKey
QFZNGEXREQINML-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

420.05783 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.06511 194.8
[M+Na]+ 443.04705 202.7
[M-H]- 419.05055 201.5
[M+NH4]+ 438.09165 205.4
[M+K]+ 459.02099 194.2
[M+H-H2O]+ 403.05509 185.9
[M+HCOO]- 465.05603 203.7
[M+CH3COO]- 479.07168 203.5
[M+Na-2H]- 441.03250 194.3
[M]+ 420.05728 200.3
[M]- 420.05838 200.3
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