CID 5272446

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

Structural Information

Molecular Formula
C22H20N6O2S2
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)NC(=O)CN(CCC3=NC=CS3)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C22H20N6O2S2/c23-22-27-18(14-32-22)15-1-3-17(4-2-15)26-19(29)13-28(11-7-20-25-10-12-31-20)21(30)16-5-8-24-9-6-16/h1-6,8-10,12,14H,7,11,13H2,(H2,23,27)(H,26,29)
InChIKey
UYPUKHGNAXGIFK-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.10892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.11620 203.2
[M+Na]+ 487.09814 210.1
[M-H]- 463.10164 214.2
[M+NH4]+ 482.14274 211.2
[M+K]+ 503.07208 203.8
[M+H-H2O]+ 447.10618 194.0
[M+HCOO]- 509.10712 218.6
[M+CH3COO]- 523.12277 211.7
[M+Na-2H]- 485.08359 202.6
[M]+ 464.10837 207.4
[M]- 464.10947 207.4
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.