CID 1211377

148367-91-3

Structural Information

Molecular Formula
C20H18ClN5OS
SMILES
CC(C)(C)C1=CC=C(C=C1)N2C(=NC#N)SC(=N2)C(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C20H18ClN5OS/c1-20(2,3)13-8-10-14(11-9-13)26-19(23-12-22)28-18(25-26)17(27)24-16-7-5-4-6-15(16)21/h4-11H,1-3H3,(H,24,27)
InChIKey
SLLYWGNUFXKKSD-UHFFFAOYSA-N
Compound name
4-(4-tert-butylphenyl)-N-(2-chlorophenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.09207 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.09935 194.5
[M+Na]+ 434.08129 207.1
[M+NH4]+ 429.12589 197.9
[M+K]+ 450.05523 196.5
[M-H]- 410.08479 192.2
[M+Na-2H]- 432.06674 200.1
[M]+ 411.09152 195.5
[M]- 411.09262 195.5
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

No patent data available for this compound.