CID 5272332

Cyclohexanecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-[(4-methoxyphenyl)methyl]-

Structural Information

Molecular Formula
C26H30N4O3S
SMILES
COC1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4CCCCC4
InChI
InChI=1S/C26H30N4O3S/c1-33-22-13-7-18(8-14-22)15-30(25(32)20-5-3-2-4-6-20)16-24(31)28-21-11-9-19(10-12-21)23-17-34-26(27)29-23/h7-14,17,20H,2-6,15-16H2,1H3,(H2,27,29)(H,28,31)
InChIKey
CAFUJYDFJOWOTO-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.20386 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.21114 212.8
[M+Na]+ 501.19308 213.5
[M-H]- 477.19658 223.6
[M+NH4]+ 496.23768 219.7
[M+K]+ 517.16702 209.0
[M+H-H2O]+ 461.20112 201.9
[M+HCOO]- 523.20206 227.9
[M+CH3COO]- 537.21771 243.0
[M+Na-2H]- 499.17853 209.2
[M]+ 478.20331 211.3
[M]- 478.20441 211.3
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.