CID 135599718

Brn 6020069

Structural Information

Molecular Formula
C24H18N4O4
SMILES
CN1C2=CC=CC=C2C(=C1O)N=NC(=O)COC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4
InChI
InChI=1S/C24H18N4O4/c1-28-19-8-4-2-6-17(19)22(24(28)30)27-26-21(29)14-31-16-12-10-15(11-13-16)23-25-18-7-3-5-9-20(18)32-23/h2-13,30H,14H2,1H3
InChIKey
FORZHMZPDRKYDT-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.1328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.14008 198.9
[M+Na]+ 449.12202 209.3
[M-H]- 425.12552 212.1
[M+NH4]+ 444.16662 210.2
[M+K]+ 465.09596 205.5
[M+H-H2O]+ 409.13006 188.8
[M+HCOO]- 471.13100 224.7
[M+CH3COO]- 485.14665 210.4
[M+Na-2H]- 447.10747 203.5
[M]+ 426.13225 208.1
[M]- 426.13335 208.1
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.