CID 9576576

Einecs 273-358-0

Structural Information

Molecular Formula
C24H19N3O3
SMILES
C/C(=N\OC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)/N
InChI
InChI=1S/C24H19N3O3/c1-16(25)27-30-24(28)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)29-23/h2-15H,1H3,(H2,25,27)/b7-6+
InChIKey
BPNQCRZMIZEIKS-VOTSOKGWSA-N
Compound name
[(E)-1-aminoethylideneamino] 4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.14264 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.149916 197.2
[M+Na]+ 420.131858 204.4
[M-H]- 396.135364 208.5
[M+NH4]+ 415.176463 207.5
[M+K]+ 436.105798 199.7
[M+H-H2O]+ 380.139900 186.5
[M+HCOO]- 442.140841 221.0
[M+CH3COO]- 456.156491 207.3
[M+Na-2H]- 418.117306 200.1
[M]+ 397.14209142 200.3
[M]- 397.14318858 200.3
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.