CID 136756683

97467-68-0

Structural Information

Molecular Formula
C24H19N3O3
SMILES
CC(=NO)NC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C24H19N3O3/c1-16(27-29)25-23(28)19-12-8-17(9-13-19)6-7-18-10-14-20(15-11-18)24-26-21-4-2-3-5-22(21)30-24/h2-15,29H,1H3,(H,25,27,28)/b7-6+
InChIKey
INYMGHUWXJJNQM-VOTSOKGWSA-N
Compound name
4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]-N-(N-hydroxy-C-methylcarbonimidoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.14264 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.149916 196.5
[M+Na]+ 420.131858 203.3
[M-H]- 396.135364 207.0
[M+NH4]+ 415.176463 206.4
[M+K]+ 436.105798 198.2
[M+H-H2O]+ 380.139900 186.1
[M+HCOO]- 442.140841 219.4
[M+CH3COO]- 456.156491 206.3
[M+Na-2H]- 418.117306 200.0
[M]+ 397.14209142 198.7
[M]- 397.14318858 198.7
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.