CID 5272445

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

Structural Information

Molecular Formula
C22H20N6O2S2
SMILES
CC1=NC(=CS1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C22H20N6O2S2/c1-14-25-18(12-31-14)10-28(21(30)16-6-8-24-9-7-16)11-20(29)26-17-4-2-15(3-5-17)19-13-32-22(23)27-19/h2-9,12-13H,10-11H2,1H3,(H2,23,27)(H,26,29)
InChIKey
DTKPLSJDSUOLQN-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.10892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.11620 204.6
[M+Na]+ 487.09814 212.3
[M-H]- 463.10164 216.0
[M+NH4]+ 482.14274 212.9
[M+K]+ 503.07208 205.9
[M+H-H2O]+ 447.10618 195.7
[M+HCOO]- 509.10712 219.9
[M+CH3COO]- 523.12277 213.4
[M+Na-2H]- 485.08359 203.3
[M]+ 464.10837 209.3
[M]- 464.10947 209.3
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.