CID 57494980

Tyvkuqlfzixhmp-uhfffaoysa-n

Structural Information

Molecular Formula
C28H26N8O10
SMILES
CC(=O)C(C(=O)NC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC)N=NC3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C28H26N8O10/c1-15(37)25(33-31-21-11-9-19(35(41)42)13-23(21)45-3)27(39)29-17-5-7-18(8-6-17)30-28(40)26(16(2)38)34-32-22-12-10-20(36(43)44)14-24(22)46-4/h5-14,25-26H,1-4H3,(H,29,39)(H,30,40)
InChIKey
TYVKUQLFZIXHMP-UHFFFAOYSA-N
Compound name
2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-[4-[[2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanoyl]amino]phenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.1772 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.18448 249.2
[M+Na]+ 657.16642 270.5
[M-H]- 633.16992 271.5
[M+NH4]+ 652.21102 269.0
[M+K]+ 673.14036 258.0
[M+H-H2O]+ 617.17446 240.7
[M+HCOO]- 679.17540 258.9
[M+CH3COO]- 693.19105 272.5
[M+Na-2H]- 655.15187 286.5
[M]+ 634.17665 234.0
[M]- 634.17775 234.0
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.