CID 9574364

Nsc 47647

Structural Information

Molecular Formula
C28H26N8
SMILES
C1=CC=C(C=C1)/C(=N\N=C(/N)\C(=N\N=C(\C2=CC=C(C=C2)N)/C3=CC=CC=C3)\N)/C4=CC=C(C=C4)N
InChI
InChI=1S/C28H26N8/c29-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)33-35-27(31)28(32)36-34-26(20-9-5-2-6-10-20)22-13-17-24(30)18-14-22/h1-18H,29-30H2,(H2,31,35)(H2,32,36)/b33-25+,34-26+
InChIKey
QQZAVCYXTNNANG-BCEWYCLDSA-N
Compound name
1-N',2-N'-bis[(E)-[(4-aminophenyl)-phenylmethylidene]amino]ethanediimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.22806 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.23534 211.8
[M+Na]+ 497.21728 211.9
[M-H]- 473.22078 226.1
[M+NH4]+ 492.26188 217.1
[M+K]+ 513.19122 207.8
[M+H-H2O]+ 457.22532 198.5
[M+HCOO]- 519.22626 241.4
[M+CH3COO]- 533.24191 262.8
[M+Na-2H]- 495.20273 214.5
[M]+ 474.22751 204.5
[M]- 474.22861 204.5
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.