CID 5272380

Schembl7639317

Structural Information

Molecular Formula
C22H25N5O4S2
SMILES
C1COCCN1S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C22H25N5O4S2/c23-22-25-20(16-32-22)18-6-8-19(9-7-18)24-21(28)15-27(14-17-4-2-1-3-5-17)33(29,30)26-10-12-31-13-11-26/h1-9,16H,10-15H2,(H2,23,25)(H,24,28)
InChIKey
DBHKSURWLACYMQ-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[benzyl(morpholin-4-ylsulfonyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

487.1348 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.14208 208.0
[M+Na]+ 510.12402 210.9
[M-H]- 486.12752 218.0
[M+NH4]+ 505.16862 212.2
[M+K]+ 526.09796 206.5
[M+H-H2O]+ 470.13206 198.5
[M+HCOO]- 532.13300 217.4
[M+CH3COO]- 546.14865 238.6
[M+Na-2H]- 508.10947 209.7
[M]+ 487.13425 207.5
[M]- 487.13535 207.5
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

No patent data available for this compound.