CID 509376

Schembl7485045

Structural Information

Molecular Formula
C20H14Cl2N4OS
SMILES
C1=CC=C2C(=C1)C=CC=C2CNC3=NN=C(S3)NC(=O)C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C20H14Cl2N4OS/c21-15-9-4-10-16(22)17(15)18(27)24-20-26-25-19(28-20)23-11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,23,25)(H,24,26,27)
InChIKey
RBWXVAPDOBUXOD-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

428.02655 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.03383 194.5
[M+Na]+ 451.01577 205.4
[M-H]- 427.01927 202.9
[M+NH4]+ 446.06037 206.1
[M+K]+ 466.98971 196.5
[M+H-H2O]+ 411.02381 186.1
[M+HCOO]- 473.02475 204.4
[M+CH3COO]- 487.04040 204.3
[M+Na-2H]- 449.00122 197.1
[M]+ 428.02600 201.6
[M]- 428.02710 201.6
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