CID 5272423

Acetamide, n-[4-(2-amino-4-thiazolyl)phenyl]-2-[(cyclohexylmethyl)[(2-pyridinyloxy)acetyl]amino]-

Structural Information

Molecular Formula
C25H29N5O3S
SMILES
C1CCC(CC1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)COC4=CC=CC=N4
InChI
InChI=1S/C25H29N5O3S/c26-25-29-21(17-34-25)19-9-11-20(12-10-19)28-22(31)15-30(14-18-6-2-1-3-7-18)24(32)16-33-23-8-4-5-13-27-23/h4-5,8-13,17-18H,1-3,6-7,14-16H2,(H2,26,29)(H,28,31)
InChIKey
MIWOTJPRHARQMT-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[cyclohexylmethyl-(2-pyridin-2-yloxyacetyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.20638 209.6
[M+Na]+ 502.18832 209.8
[M-H]- 478.19182 218.9
[M+NH4]+ 497.23292 214.8
[M+K]+ 518.16226 205.3
[M+H-H2O]+ 462.19636 197.9
[M+HCOO]- 524.19730 223.9
[M+CH3COO]- 538.21295 241.4
[M+Na-2H]- 500.17377 207.5
[M]+ 479.19855 207.8
[M]- 479.19965 207.8
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.