CID 3833798

84682-33-7

Structural Information

Molecular Formula
C19H13N3O5
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H13N3O5/c23-19(14-4-2-1-3-5-14)20-18-12-16(22(26)27)10-11-17(18)13-6-8-15(9-7-13)21(24)25/h1-12H,(H,20,23)
InChIKey
SXHSXUJZDOVNJP-UHFFFAOYSA-N
Compound name
N-[5-nitro-2-(4-nitrophenyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

363.0855 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09278 182.6
[M+Na]+ 386.07472 185.1
[M-H]- 362.07822 191.5
[M+NH4]+ 381.11932 191.1
[M+K]+ 402.04866 173.2
[M+H-H2O]+ 346.08276 180.9
[M+HCOO]- 408.08370 207.3
[M+CH3COO]- 422.09935 206.0
[M+Na-2H]- 384.06017 189.7
[M]+ 363.08495 178.1
[M]- 363.08605 178.1
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

patents stripe