CID 135483931

Nsc357774

Structural Information

Molecular Formula
C32H26N10O2
SMILES
CC1=C(C(=C2C3=C(C=CC2=N1)C4=C(C(=C(N=C4C=C3)C)N=NC5=CC=C(C=C5)C(=N)N)O)O)N=NC6=CC=C(C=C6)C(=N)N
InChI
InChI=1S/C32H26N10O2/c1-15-27(41-39-19-7-3-17(4-8-19)31(33)34)29(43)25-21-12-14-24-26(22(21)11-13-23(25)37-15)30(44)28(16(2)38-24)42-40-20-9-5-18(6-10-20)32(35)36/h3-14H,1-2H3,(H3,33,34)(H3,35,36)(H,37,43)(H,38,44)
InChIKey
SUCOWEOBOJTXEO-UHFFFAOYSA-N
Compound name
4-[[3-[(4-carbamimidoylphenyl)diazenyl]-4,10-dihydroxy-2,8-dimethylquinolino[6,5-f]quinolin-9-yl]diazenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.224 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.23128 236.0
[M+Na]+ 605.21322 242.7
[M-H]- 581.21672 247.9
[M+NH4]+ 600.25782 237.9
[M+K]+ 621.18716 237.9
[M+H-H2O]+ 565.22126 222.1
[M+HCOO]- 627.22220 260.0
[M+CH3COO]- 641.23785 241.7
[M+Na-2H]- 603.19867 244.1
[M]+ 582.22345 236.7
[M]- 582.22455 236.7
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.