CID 5272353

Cyclohexaneacetamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-[(4-chlorophenyl)methyl]-

Structural Information

Molecular Formula
C26H29ClN4O2S
SMILES
C1CCC(CC1)CC(=O)N(CC2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C26H29ClN4O2S/c27-21-10-6-19(7-11-21)15-31(25(33)14-18-4-2-1-3-5-18)16-24(32)29-22-12-8-20(9-13-22)23-17-34-26(28)30-23/h6-13,17-18H,1-5,14-16H2,(H2,28,30)(H,29,32)
InChIKey
RBSBFHFHQFWAFE-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.16998 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.17726 217.6
[M+Na]+ 519.15920 219.4
[M-H]- 495.16270 228.4
[M+NH4]+ 514.20380 224.9
[M+K]+ 535.13314 212.9
[M+H-H2O]+ 479.16724 207.5
[M+HCOO]- 541.16818 228.1
[M+CH3COO]- 555.18383 223.7
[M+Na-2H]- 517.14465 213.2
[M]+ 496.16943 217.4
[M]- 496.17053 217.4
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.