CID 45051310

853329-33-6

Structural Information

Molecular Formula
C19H15N3O6
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)CCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H15N3O6/c23-19(20-14-4-2-6-16(12-14)22(26)27)10-8-17-7-9-18(28-17)13-3-1-5-15(11-13)21(24)25/h1-7,9,11-12H,8,10H2,(H,20,23)
InChIKey
OYEHVLFDUJNDTO-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.0961 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10338 190.1
[M+Na]+ 404.08532 192.2
[M-H]- 380.08882 200.0
[M+NH4]+ 399.12992 198.4
[M+K]+ 420.05926 181.7
[M+H-H2O]+ 364.09336 189.1
[M+HCOO]- 426.09430 214.8
[M+CH3COO]- 440.10995 208.1
[M+Na-2H]- 402.07077 196.3
[M]+ 381.09555 188.0
[M]- 381.09665 188.0
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.