CID 367990

Nsc638210

Structural Information

Molecular Formula
C30H32N2O4
SMILES
CC(C)COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)OCC(C)C
InChI
InChI=1S/C30H32N2O4/c1-21(2)19-35-29(33)25-9-13-27(14-10-25)31-17-23-5-7-24(8-6-23)18-32-28-15-11-26(12-16-28)30(34)36-20-22(3)4/h5-18,21-22H,19-20H2,1-4H3
InChIKey
FZFMLVRMAJJQOL-UHFFFAOYSA-N
Compound name
2-methylpropyl 4-[[4-[[4-(2-methylpropoxycarbonyl)phenyl]iminomethyl]phenyl]methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.2362 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.24348 223.7
[M+Na]+ 507.22542 225.8
[M-H]- 483.22892 234.5
[M+NH4]+ 502.27002 230.7
[M+K]+ 523.19936 222.3
[M+H-H2O]+ 467.23346 211.5
[M+HCOO]- 529.23440 246.1
[M+CH3COO]- 543.25005 249.6
[M+Na-2H]- 505.21087 220.7
[M]+ 484.23565 228.8
[M]- 484.23675 228.8
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.