CID 509861

Schembl7481077

Structural Information

Molecular Formula
C24H32N4OS2
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)NC2=NN=C(S2)NCCC3=CC=CS3)C(C)C
InChI
InChI=1S/C24H32N4OS2/c1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22(29)26-24-28-27-23(31-24)25-10-9-18-8-7-11-30-18/h7-8,11-16H,9-10H2,1-6H3,(H,25,27)(H,26,28,29)
InChIKey
XTHZRINUCZOGII-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

456.20175 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.20903 210.2
[M+Na]+ 479.19097 216.1
[M-H]- 455.19447 218.2
[M+NH4]+ 474.23557 220.7
[M+K]+ 495.16491 210.1
[M+H-H2O]+ 439.19901 202.2
[M+HCOO]- 501.19995 221.0
[M+CH3COO]- 515.21560 237.8
[M+Na-2H]- 477.17642 202.8
[M]+ 456.20120 216.6
[M]- 456.20230 216.6
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