CID 369748

Nsc641839

Structural Information

Molecular Formula
C23H14N4O7
SMILES
C1=CC=C(C=C1)N=CC2=C(C(=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C23H14N4O7/c28-25(29)18-10-4-6-15(12-18)21-22(27(32)33)20(14-24-17-8-2-1-3-9-17)34-23(21)16-7-5-11-19(13-16)26(30)31/h1-14H
InChIKey
PWDOPJADXPHLAH-UHFFFAOYSA-N
Compound name
1-[3-nitro-4,5-bis(3-nitrophenyl)furan-2-yl]-N-phenylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.08624 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.09352 213.6
[M+Na]+ 481.07546 213.5
[M-H]- 457.07896 226.3
[M+NH4]+ 476.12006 217.1
[M+K]+ 497.04940 198.8
[M+H-H2O]+ 441.08350 213.6
[M+HCOO]- 503.08444 237.9
[M+CH3COO]- 517.10009 220.4
[M+Na-2H]- 479.06091 220.8
[M]+ 458.08569 209.4
[M]- 458.08679 209.4
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.