CID 111916

Ethanimidamide, n-[[4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]benzoyl]oxy]-

Structural Information

Molecular Formula
C24H19N3O3
SMILES
CC(=NOC(=O)C1=CC=C(C=C1)C=CC2=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)
InChIKey
BPNQCRZMIZEIKS-UHFFFAOYSA-N
Compound name
(1-aminoethylideneamino) 4-[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 196.3
[M+Na]+ 420.13186 210.9
[M+NH4]+ 415.17646 202.9
[M+K]+ 436.10580 204.7
[M-H]- 396.13536 204.3
[M+Na-2H]- 418.11731 205.2
[M]+ 397.14209 200.6
[M]- 397.14319 200.6
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.