CID 510270

Schembl7480001

Structural Information

Molecular Formula
C19H16F2N4OS
SMILES
C1CC(C2=CC=CC=C2C1)NC3=NN=C(S3)NC(=O)C4=CC(=CC(=C4)F)F
InChI
InChI=1S/C19H16F2N4OS/c20-13-8-12(9-14(21)10-13)17(26)23-19-25-24-18(27-19)22-16-7-3-5-11-4-1-2-6-15(11)16/h1-2,4,6,8-10,16H,3,5,7H2,(H,22,24)(H,23,25,26)
InChIKey
IHMFOZBYGOJKNH-UHFFFAOYSA-N
Compound name
3,5-difluoro-N-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

386.1013 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10858 183.8
[M+Na]+ 409.09052 191.4
[M-H]- 385.09402 189.3
[M+NH4]+ 404.13512 195.3
[M+K]+ 425.06446 184.0
[M+H-H2O]+ 369.09856 172.7
[M+HCOO]- 431.09950 197.5
[M+CH3COO]- 445.11515 192.6
[M+Na-2H]- 407.07597 184.4
[M]+ 386.10075 181.0
[M]- 386.10185 181.0
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