CID 5272268

(2s)-2-[[4-(2-aminothiazol-4-yl)phenyl]carbamoylamino]-3-phenyl-n-[2-(2-pyridyl)ethyl]propanamide

Structural Information

Molecular Formula
C26H26N6O2S
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NCCC2=CC=CC=N2)NC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C26H26N6O2S/c27-25-31-23(17-35-25)19-9-11-21(12-10-19)30-26(34)32-22(16-18-6-2-1-3-7-18)24(33)29-15-13-20-8-4-5-14-28-20/h1-12,14,17,22H,13,15-16H2,(H2,27,31)(H,29,33)(H2,30,32,34)/t22-/m0/s1
InChIKey
AAIGDFZGPRERJA-QFIPXVFZSA-N
Compound name
(2S)-2-[[4-(2-amino-1,3-thiazol-4-yl)phenyl]carbamoylamino]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1838 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.19108 209.7
[M+Na]+ 509.17302 211.6
[M-H]- 485.17652 218.9
[M+NH4]+ 504.21762 214.1
[M+K]+ 525.14696 204.9
[M+H-H2O]+ 469.18106 198.2
[M+HCOO]- 531.18200 227.2
[M+CH3COO]- 545.19765 215.8
[M+Na-2H]- 507.15847 210.7
[M]+ 486.18325 208.6
[M]- 486.18435 208.6
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.