CID 5272358

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

Structural Information

Molecular Formula
C25H21N7O2S
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=C(C=C4)N=[N+]=[N-]
InChI
InChI=1S/C25H21N7O2S/c26-25-29-22(16-35-25)18-6-10-20(11-7-18)28-23(33)15-32(14-17-4-2-1-3-5-17)24(34)19-8-12-21(13-9-19)30-31-27/h1-13,16H,14-15H2,(H2,26,29)(H,28,33)
InChIKey
NPTNGPFPDSMBEN-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-4-azido-N-benzylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.14774 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.15502 209.7
[M+Na]+ 506.13696 211.0
[M-H]- 482.14046 223.5
[M+NH4]+ 501.18156 215.8
[M+K]+ 522.11090 200.9
[M+H-H2O]+ 466.14500 201.1
[M+HCOO]- 528.14594 234.7
[M+CH3COO]- 542.16159 245.5
[M+Na-2H]- 504.12241 214.5
[M]+ 483.14719 207.3
[M]- 483.14829 207.3
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.