CID 5272391

N-[4-(2-aminothiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholinosulfonyl)amino]acetamide

Structural Information

Molecular Formula
C22H31N5O4S2
SMILES
C1CCC(CC1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)S(=O)(=O)N4CCOCC4
InChI
InChI=1S/C22H31N5O4S2/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/h6-9,16-17H,1-5,10-15H2,(H2,23,25)(H,24,28)
InChIKey
ZJAIQNLYZMFVHT-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl(morpholin-4-ylsulfonyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.18173 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.18901 208.0
[M+Na]+ 516.17095 207.9
[M-H]- 492.17445 216.5
[M+NH4]+ 511.21555 211.8
[M+K]+ 532.14489 204.3
[M+H-H2O]+ 476.17899 198.8
[M+HCOO]- 538.17993 213.4
[M+CH3COO]- 552.19558 239.8
[M+Na-2H]- 514.15640 207.5
[M]+ 493.18118 203.7
[M]- 493.18228 203.7
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.