CID 135521373

Nsc652605

Structural Information

Molecular Formula
C28H24N6O4
SMILES
C1=CC=C(C=C1)/C(=N\O)/C(=N\O)/NC2=CC=C(C=C2)C3=CC=C(C=C3)N/C(=N/O)/C(=N/O)/C4=CC=CC=C4
InChI
InChI=1S/C28H24N6O4/c35-31-25(21-7-3-1-4-8-21)27(33-37)29-23-15-11-19(12-16-23)20-13-17-24(18-14-20)30-28(34-38)26(32-36)22-9-5-2-6-10-22/h1-18,35-38H,(H,29,33)(H,30,34)/b31-25+,32-26+
InChIKey
UQUJZHCFKUKAEY-YESHOFFLSA-N
Compound name
(2E)-N'-hydroxy-N-[4-[4-[[(E)-N-hydroxy-C-[(E)-N-hydroxy-C-phenylcarbonimidoyl]carbonimidoyl]amino]phenyl]phenyl]-2-hydroxyimino-2-phenylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.1859 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.19318 213.8
[M+Na]+ 531.17512 212.6
[M-H]- 507.17862 225.1
[M+NH4]+ 526.21972 216.3
[M+K]+ 547.14906 209.6
[M+H-H2O]+ 491.18316 201.0
[M+HCOO]- 553.18410 239.0
[M+CH3COO]- 567.19975 254.8
[M+Na-2H]- 529.16057 218.3
[M]+ 508.18535 209.2
[M]- 508.18645 209.2
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.