CID 5272470

N-[3-[4-(2-aminothiazol-4-yl)anilino]-3-oxo-propyl]-n-indan-2-yl-pyridine-3-carboxamide

Structural Information

Molecular Formula
C27H25N5O2S
SMILES
C1C(CC2=CC=CC=C21)N(CCC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N)C(=O)C5=CN=CC=C5
InChI
InChI=1S/C27H25N5O2S/c28-27-31-24(17-35-27)18-7-9-22(10-8-18)30-25(33)11-13-32(26(34)21-6-3-12-29-16-21)23-14-19-4-1-2-5-20(19)15-23/h1-10,12,16-17,23H,11,13-15H2,(H2,28,31)(H,30,33)
InChIKey
HDUIZIPXTBPKTE-UHFFFAOYSA-N
Compound name
N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.17288 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.18016 211.2
[M+Na]+ 506.16210 215.0
[M-H]- 482.16560 223.3
[M+NH4]+ 501.20670 219.7
[M+K]+ 522.13604 209.6
[M+H-H2O]+ 466.17014 201.2
[M+HCOO]- 528.17108 228.2
[M+CH3COO]- 542.18673 218.7
[M+Na-2H]- 504.14755 209.4
[M]+ 483.17233 212.2
[M]- 483.17343 212.2
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.