CID 136058586

4-((2-hydroxy-1-naphthalenyl)azo)-n-(4-((2-hydroxy-1-naphthalenyl)azo)phenyl)benzamide, tetrakis(formylaminomethyl) deriv.

Structural Information

Molecular Formula
C41H35N9O7
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)N(CNC=O)C(=O)C4=C(C(=C(C(=C4)CNC=O)N=NC5=C(C=CC6=CC=CC=C65)O)CNC=O)CNC=O)O
InChI
InChI=1S/C41H35N9O7/c51-22-42-18-28-17-33(34(19-43-23-52)35(20-44-24-53)38(28)47-49-40-32-8-4-2-6-27(32)10-16-37(40)56)41(57)50(21-45-25-54)30-13-11-29(12-14-30)46-48-39-31-7-3-1-5-26(31)9-15-36(39)55/h1-17,22-25,55-56H,18-21H2,(H,42,51)(H,43,52)(H,44,53)(H,45,54)
InChIKey
BQDPPZKHAGEACN-UHFFFAOYSA-N
Compound name
N,2,3,5-tetrakis(formamidomethyl)-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-N-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

765.2659 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 766.27318 271.8
[M+Na]+ 788.25512 279.3
[M-H]- 764.25862 273.1
[M+NH4]+ 783.29972 276.6
[M+K]+ 804.22906 273.7
[M+H-H2O]+ 748.26316 253.2
[M+HCOO]- 810.26410 277.3
[M+CH3COO]- 824.27975 279.9
[M+Na-2H]- 786.24057 305.8
[M]+ 765.26535 313.3
[M]- 765.26645 313.3
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.