CID 367989

Nsc638209

Structural Information

Molecular Formula
C24H20N2O4
SMILES
COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C24H20N2O4/c1-29-23(27)19-7-11-21(12-8-19)25-15-17-3-5-18(6-4-17)16-26-22-13-9-20(10-14-22)24(28)30-2/h3-16H,1-2H3
InChIKey
CKDMGPPZAUDRLJ-UHFFFAOYSA-N
Compound name
methyl 4-[[4-[(4-methoxycarbonylphenyl)iminomethyl]phenyl]methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1423 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14958 197.2
[M+Na]+ 423.13152 202.6
[M-H]- 399.13502 209.2
[M+NH4]+ 418.17612 207.9
[M+K]+ 439.10546 199.1
[M+H-H2O]+ 383.13956 185.7
[M+HCOO]- 445.14050 223.8
[M+CH3COO]- 459.15615 230.5
[M+Na-2H]- 421.11697 199.5
[M]+ 400.14175 201.5
[M]- 400.14285 201.5
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.