CID 9651381

4-(2-((5-isopropyl-2-me-phenoxy)acetyl)carbohydrazonoyl)-2-meo-ph 3-ph-acrylate

Structural Information

Molecular Formula
C29H30N2O5
SMILES
CC1=C(C=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C29H30N2O5/c1-20(2)24-13-10-21(3)26(17-24)35-19-28(32)31-30-18-23-11-14-25(27(16-23)34-4)36-29(33)15-12-22-8-6-5-7-9-22/h5-18,20H,19H2,1-4H3,(H,31,32)/b15-12+,30-18+
InChIKey
IKIBDQNDKNUZRP-PPCGIRLPSA-N
Compound name
[2-methoxy-4-[(E)-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.21548 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.22276 221.9
[M+Na]+ 509.20470 224.9
[M-H]- 485.20820 231.9
[M+NH4]+ 504.24930 228.4
[M+K]+ 525.17864 221.2
[M+H-H2O]+ 469.21274 209.9
[M+HCOO]- 531.21368 244.3
[M+CH3COO]- 545.22933 247.1
[M+Na-2H]- 507.19015 219.6
[M]+ 486.21493 227.2
[M]- 486.21603 227.2
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.