CID 510260

Schembl7482136

Structural Information

Molecular Formula
C22H35N5OS
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)NC2=NN=C(S2)NCCN(C)C)C(C)C
InChI
InChI=1S/C22H35N5OS/c1-13(2)16-11-17(14(3)4)19(18(12-16)15(5)6)20(28)24-22-26-25-21(29-22)23-9-10-27(7)8/h11-15H,9-10H2,1-8H3,(H,23,25)(H,24,26,28)
InChIKey
PJBSRXLGAHDYKR-UHFFFAOYSA-N
Compound name
N-[5-[2-(dimethylamino)ethylamino]-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

3
Patents

417.25623 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.26351 205.8
[M+Na]+ 440.24545 209.1
[M-H]- 416.24895 211.3
[M+NH4]+ 435.29005 216.0
[M+K]+ 456.21939 206.1
[M+H-H2O]+ 400.25349 196.3
[M+HCOO]- 462.25443 220.3
[M+CH3COO]- 476.27008 241.5
[M+Na-2H]- 438.23090 199.2
[M]+ 417.25568 210.9
[M]- 417.25678 210.9
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.