CID 3073979

154185-82-7

Structural Information

Molecular Formula
C29H26N2O7
SMILES
COC1=C(C=C(C=C1)C2CC(=NN2C=O)C3=CC4=C(C=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)OC)OC
InChI
InChI=1S/C29H26N2O7/c1-34-25-9-6-18(12-28(25)36-3)22-14-21(30-31(22)16-32)17-5-8-24-20(11-17)23(33)15-27(38-24)19-7-10-26(35-2)29(13-19)37-4/h5-13,15-16,22H,14H2,1-4H3
InChIKey
JSHRBVHKJFJSMK-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)-4-oxochromen-6-yl]-3,4-dihydropyrazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.174 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.18128 226.2
[M+Na]+ 537.16322 243.5
[M+NH4]+ 532.20782 231.0
[M+K]+ 553.13716 237.6
[M-H]- 513.16672 234.0
[M+Na-2H]- 535.14867 233.4
[M]+ 514.17345 231.0
[M]- 514.17455 231.0
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.