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 248.0
[M+Na]+ 657.16642 252.6
[M+NH4]+ 652.21102 255.9
[M+K]+ 673.14036 259.4
[M-H]- 633.16992 245.9
[M+Na-2H]- 655.15187 240.5
[M]+ 634.17665 250.3
[M]- 634.17775 250.3
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.