CID 118830

Benzaldehyde, 4-[bis[2-(benzoyloxy)ethyl]amino]-2,5-dimethoxy-

Structural Information

Molecular Formula
C27H27NO7
SMILES
COC1=CC(=C(C=C1C=O)OC)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H27NO7/c1-32-24-18-23(25(33-2)17-22(24)19-29)28(13-15-34-26(30)20-9-5-3-6-10-20)14-16-35-27(31)21-11-7-4-8-12-21/h3-12,17-19H,13-16H2,1-2H3
InChIKey
MAQMCUSMXYSQAX-UHFFFAOYSA-N
Compound name
2-[N-(2-benzoyloxyethyl)-4-formyl-2,5-dimethoxyanilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.17874 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.186016 214.9
[M+Na]+ 500.167958 217.9
[M-H]- 476.171464 224.8
[M+NH4]+ 495.212563 221.5
[M+K]+ 516.141898 216.6
[M+H-H2O]+ 460.176000 202.8
[M+HCOO]- 522.176941 237.1
[M+CH3COO]- 536.192591 240.9
[M+Na-2H]- 498.153406 214.1
[M]+ 477.17819142 223.4
[M]- 477.17928858 223.4
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.