CID 5272362

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-4-azido-n-(4-pyridylmethyl)benzamide

Structural Information

Molecular Formula
C24H20N8O2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)NC(=O)CN(CC3=CC=NC=C3)C(=O)C4=CC=C(C=C4)N=[N+]=[N-]
InChI
InChI=1S/C24H20N8O2S/c25-24-29-21(15-35-24)17-1-5-19(6-2-17)28-22(33)14-32(13-16-9-11-27-12-10-16)23(34)18-3-7-20(8-4-18)30-31-26/h1-12,15H,13-14H2,(H2,25,29)(H,28,33)
InChIKey
HGMQUWKNMIBSID-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-4-azido-N-(pyridin-4-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.143 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.15028 207.3
[M+Na]+ 507.13222 209.1
[M-H]- 483.13572 220.3
[M+NH4]+ 502.17682 212.2
[M+K]+ 523.10616 198.9
[M+H-H2O]+ 467.14026 198.4
[M+HCOO]- 529.14120 231.5
[M+CH3COO]- 543.15685 245.2
[M+Na-2H]- 505.11767 213.4
[M]+ 484.14245 205.0
[M]- 484.14355 205.0
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.