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]+ 478.18602 214.9
[M+Na]+ 500.16796 217.9
[M-H]- 476.17146 224.8
[M+NH4]+ 495.21256 221.5
[M+K]+ 516.14190 216.6
[M+H-H2O]+ 460.17600 202.8
[M+HCOO]- 522.17694 237.1
[M+CH3COO]- 536.19259 240.9
[M+Na-2H]- 498.15341 214.1
[M]+ 477.17819 223.4
[M]- 477.17929 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.