CID 9568395

Nsc103676

Structural Information

Molecular Formula
C26H24N8O2
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N/NC2=NN=C(C3=CC=CC=C23)N/N=C/C4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C26H24N8O2/c1-17(35)29-21-11-7-19(8-12-21)15-27-31-25-23-5-3-4-6-24(23)26(34-33-25)32-28-16-20-9-13-22(14-10-20)30-18(2)36/h3-16H,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)/b27-15+,28-16+
InChIKey
BDMPCNLISIQQQY-DPCVLPDWSA-N
Compound name
N-[4-[(E)-[[4-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.2022 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.20948 211.3
[M+Na]+ 503.19142 214.7
[M-H]- 479.19492 221.4
[M+NH4]+ 498.23602 215.8
[M+K]+ 519.16536 209.4
[M+H-H2O]+ 463.19946 197.6
[M+HCOO]- 525.20040 237.7
[M+CH3COO]- 539.21605 257.3
[M+Na-2H]- 501.17687 219.4
[M]+ 480.20165 211.3
[M]- 480.20275 211.3
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.