CID 135599719

Brn 6022827

Structural Information

Molecular Formula
C24H17ClN4O4
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=C1O)N=NC(=O)COC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4
InChI
InChI=1S/C24H17ClN4O4/c1-29-19-11-8-15(25)12-17(19)22(24(29)31)28-27-21(30)13-32-16-9-6-14(7-10-16)23-26-18-4-2-3-5-20(18)33-23/h2-12,31H,13H2,1H3
InChIKey
AUGMPXBFTPNAHD-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-(5-chloro-2-hydroxy-1-methylindol-3-yl)iminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.09384 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.10112 209.0
[M+Na]+ 483.08306 220.9
[M-H]- 459.08656 222.1
[M+NH4]+ 478.12766 220.0
[M+K]+ 499.05700 216.0
[M+H-H2O]+ 443.09110 199.2
[M+HCOO]- 505.09204 230.0
[M+CH3COO]- 519.10769 220.2
[M+Na-2H]- 481.06851 212.0
[M]+ 460.09329 221.0
[M]- 460.09439 221.0
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.