CID 135599721

Acetic acid, (4-(2-benzoxazoyl)phenoxy)-, (1,2-dihydro-1-(4-morpholinylmethyl)-2-oxo-3h-indol-3-ylidene)hydrazide

Structural Information

Molecular Formula
C28H25N5O5
SMILES
C1COCCN1CN2C3=CC=CC=C3C(=C2O)N=NC(=O)COC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5
InChI
InChI=1S/C28H25N5O5/c34-25(17-37-20-11-9-19(10-12-20)27-29-22-6-2-4-8-24(22)38-27)30-31-26-21-5-1-3-7-23(21)33(28(26)35)18-32-13-15-36-16-14-32/h1-12,35H,13-18H2
InChIKey
SWFWSKGWAJPNPE-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.18558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.19286 215.9
[M+Na]+ 534.17480 222.3
[M-H]- 510.17830 229.7
[M+NH4]+ 529.21940 219.8
[M+K]+ 550.14874 219.5
[M+H-H2O]+ 494.18284 203.8
[M+HCOO]- 556.18378 234.7
[M+CH3COO]- 570.19943 224.0
[M+Na-2H]- 532.16025 217.8
[M]+ 511.18503 221.6
[M]- 511.18613 221.6
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.