CID 5272388

Butanamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(2-cyclohexylethyl)-2-ethyl-

Structural Information

Molecular Formula
C25H36N4O2S
SMILES
CCC(CC)C(=O)N(CCC1CCCCC1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C25H36N4O2S/c1-3-19(4-2)24(31)29(15-14-18-8-6-5-7-9-18)16-23(30)27-21-12-10-20(11-13-21)22-17-32-25(26)28-22/h10-13,17-19H,3-9,14-16H2,1-2H3,(H2,26,28)(H,27,30)
InChIKey
QOZRJCCFZUKKFR-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2-cyclohexylethyl)-2-ethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2559 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.26318 212.5
[M+Na]+ 479.24512 211.4
[M-H]- 455.24862 219.5
[M+NH4]+ 474.28972 220.6
[M+K]+ 495.21906 207.3
[M+H-H2O]+ 439.25316 202.1
[M+HCOO]- 501.25410 225.3
[M+CH3COO]- 515.26975 241.4
[M+Na-2H]- 477.23057 206.0
[M]+ 456.25535 210.8
[M]- 456.25645 210.8
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.