CID 5272349

Benzamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-4-azido-n-[(4-chlorophenyl)methyl]-

Structural Information

Molecular Formula
C25H20ClN7O2S
SMILES
C1=CC(=CC=C1CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=C(C=C4)N=[N+]=[N-])Cl
InChI
InChI=1S/C25H20ClN7O2S/c26-19-7-1-16(2-8-19)13-33(24(35)18-5-11-21(12-6-18)31-32-28)14-23(34)29-20-9-3-17(4-10-20)22-15-36-25(27)30-22/h1-12,15H,13-14H2,(H2,27,30)(H,29,34)
InChIKey
LYYPIQKBOLUYFD-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-4-azido-N-[(4-chlorophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.10876 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.11604 221.8
[M+Na]+ 540.09798 224.3
[M-H]- 516.10148 235.6
[M+NH4]+ 535.14258 227.7
[M+K]+ 556.07192 213.2
[M+H-H2O]+ 500.10602 214.1
[M+HCOO]- 562.10696 242.2
[M+CH3COO]- 576.12261 249.9
[M+Na-2H]- 538.08343 224.9
[M]+ 517.10821 222.4
[M]- 517.10931 222.4
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.