CID 44152917

Ec 407-010-8

Structural Information

Molecular Formula
C28H34N6O6
SMILES
CN(C)CCOC(=O)C1=CC=CC=C1N/N=C/2\C=CC(=O)CC2(N=NC3=CC=CC=C3C(=O)OCCN(C)C)O
InChI
InChI=1S/C28H34N6O6/c1-33(2)15-17-39-26(36)21-9-5-7-11-23(21)29-31-25-14-13-20(35)19-28(25,38)32-30-24-12-8-6-10-22(24)27(37)40-18-16-34(3)4/h5-14,29,38H,15-19H2,1-4H3/b31-25+,32-30?
InChIKey
RZNVTGJJQLULOO-OVMHGMDPSA-N
Compound name
2-(dimethylamino)ethyl 2-[(2E)-2-[6-[[2-[2-(dimethylamino)ethoxycarbonyl]phenyl]diazenyl]-6-hydroxy-4-oxocyclohex-2-en-1-ylidene]hydrazinyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

550.25397 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.26125 229.0
[M+Na]+ 573.24319 228.8
[M-H]- 549.24669 242.0
[M+NH4]+ 568.28779 235.0
[M+K]+ 589.21713 230.7
[M+H-H2O]+ 533.25123 216.2
[M+HCOO]- 595.25217 256.5
[M+CH3COO]- 609.26782 274.5
[M+Na-2H]- 571.22864 230.4
[M]+ 550.25342 234.4
[M]- 550.25452 234.4
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.