CID 509921

Schembl7483668

Structural Information

Molecular Formula
C25H39N5OS
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)NC2=NN=C(S2)NCCN3CCCCC3)C(C)C
InChI
InChI=1S/C25H39N5OS/c1-16(2)19-14-20(17(3)4)22(21(15-19)18(5)6)23(31)27-25-29-28-24(32-25)26-10-13-30-11-8-7-9-12-30/h14-18H,7-13H2,1-6H3,(H,26,28)(H,27,29,31)
InChIKey
SKVOBIUVDCCVQQ-UHFFFAOYSA-N
Compound name
N-[5-(2-piperidin-1-ylethylamino)-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

457.28754 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.29482 213.5
[M+Na]+ 480.27676 214.7
[M-H]- 456.28026 218.2
[M+NH4]+ 475.32136 219.7
[M+K]+ 496.25070 209.5
[M+H-H2O]+ 440.28480 203.1
[M+HCOO]- 502.28574 221.6
[M+CH3COO]- 516.30139 241.5
[M+Na-2H]- 478.26221 205.5
[M]+ 457.28699 213.0
[M]- 457.28809 213.0
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