CID 9571183

Nsc64897

Structural Information

Molecular Formula
C22H22N8O2
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)/C(=N/N)/N)C(=O)NC3=CC=C(C=C3)/C(=N/N)/N
InChI
InChI=1S/C22H22N8O2/c23-19(29-25)13-5-9-17(10-6-13)27-21(31)15-1-2-16(4-3-15)22(32)28-18-11-7-14(8-12-18)20(24)30-26/h1-12H,25-26H2,(H2,23,29)(H2,24,30)(H,27,31)(H,28,32)
InChIKey
FLHJZPSOVIVJJY-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(Z)-C-aminocarbonohydrazonoyl]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.18658 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19386 199.4
[M+Na]+ 453.17580 200.6
[M-H]- 429.17930 209.5
[M+NH4]+ 448.22040 205.9
[M+K]+ 469.14974 198.3
[M+H-H2O]+ 413.18384 187.6
[M+HCOO]- 475.18478 227.5
[M+CH3COO]- 489.20043 252.7
[M+Na-2H]- 451.16125 200.5
[M]+ 430.18603 192.0
[M]- 430.18713 192.0
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.