CID 5388353

Nsc635333

Structural Information

Molecular Formula
C32H28N6O4
SMILES
CC1=CC2=NC3=C(C=CC(=C3N=C2C=C1C)/C(=N/NC(=O)C4=CC=CC=C4O)/C)/C(=N/NC(=O)C5=CC=CC=C5O)/C
InChI
InChI=1S/C32H28N6O4/c1-17-15-25-26(16-18(17)2)34-30-22(20(4)36-38-32(42)24-10-6-8-12-28(24)40)14-13-21(29(30)33-25)19(3)35-37-31(41)23-9-5-7-11-27(23)39/h5-16,39-40H,1-4H3,(H,37,41)(H,38,42)/b35-19+,36-20+
InChIKey
MTNKZUCOJMPPED-CQFWSYKGSA-N
Compound name
2-hydroxy-N-[(E)-1-[4-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-7,8-dimethylphenazin-1-yl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.2172 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.22448 235.9
[M+Na]+ 583.20642 240.3
[M-H]- 559.20992 244.8
[M+NH4]+ 578.25102 237.3
[M+K]+ 599.18036 235.5
[M+H-H2O]+ 543.21446 222.6
[M+HCOO]- 605.21540 253.9
[M+CH3COO]- 619.23105 267.9
[M+Na-2H]- 581.19187 238.6
[M]+ 560.21665 238.2
[M]- 560.21775 238.2
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.