CID 509445

Schembl7484349

Structural Information

Molecular Formula
C24H37N5OS
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)NC2=NN=C(S2)NCCN3CCCC3)C(C)C
InChI
InChI=1S/C24H37N5OS/c1-15(2)18-13-19(16(3)4)21(20(14-18)17(5)6)22(30)26-24-28-27-23(31-24)25-9-12-29-10-7-8-11-29/h13-17H,7-12H2,1-6H3,(H,25,27)(H,26,28,30)
InChIKey
OPMGBUFYIJPSRX-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yl)-N-[5-(2-pyrrolidin-1-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

443.27188 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.27916 210.7
[M+Na]+ 466.26110 213.3
[M-H]- 442.26460 216.8
[M+NH4]+ 461.30570 219.7
[M+K]+ 482.23504 209.0
[M+H-H2O]+ 426.26914 201.4
[M+HCOO]- 488.27008 221.7
[M+CH3COO]- 502.28573 238.0
[M+Na-2H]- 464.24655 201.4
[M]+ 443.27133 212.5
[M]- 443.27243 212.5
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

patents stripe