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 198.9
[M+Na]+ 457.10784 197.4
[M-H]- 433.11134 207.9
[M+NH4]+ 452.15244 196.7
[M+K]+ 473.08178 194.0
[M+H-H2O]+ 417.11588 190.1
[M+HCOO]- 479.11682 221.0
[M+CH3COO]- 493.13247 223.3
[M+Na-2H]- 455.09329 203.5
[M]+ 434.11807 208.2
[M]- 434.11917 208.2
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.