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]+ 398.14992 197.2
[M+Na]+ 420.13186 204.4
[M-H]- 396.13536 208.5
[M+NH4]+ 415.17646 207.5
[M+K]+ 436.10580 199.7
[M+H-H2O]+ 380.13990 186.5
[M+HCOO]- 442.14084 221.0
[M+CH3COO]- 456.15649 207.3
[M+Na-2H]- 418.11731 200.1
[M]+ 397.14209 200.3
[M]- 397.14319 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.