CID 3062474

Pimelic acid, bis((5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula
C17H18N6O8
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C2C(=NN2C(=O)CCCCCC(N)N=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C17H18N6O8/c18-12(20-25)4-2-1-3-5-13(24)21-17(11-7-9-15(31-11)23(28)29)16(19-21)10-6-8-14(30-10)22(26)27/h6-9,12,17H,1-5,18H2
InChIKey
YCWFFSPCOHBOQQ-UHFFFAOYSA-N
Compound name
7-amino-1-[3,4-bis(5-nitrofuran-2-yl)-3H-diazet-2-yl]-7-nitrosoheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.11862 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12590 206.9
[M+Na]+ 457.10784 212.6
[M+NH4]+ 452.15244 215.2
[M+K]+ 473.08178 219.5
[M-H]- 433.11134 207.4
[M+Na-2H]- 455.09329 203.1
[M]+ 434.11807 209.2
[M]- 434.11917 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.