CID 5819184

1-(4-nitrophenyl)-3-methyl-5-phenylformazan

Structural Information

Molecular Formula
C14H13N5O2
SMILES
C/C(=N\NC1=CC=CC=C1)/N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N5O2/c1-11(15-17-12-5-3-2-4-6-12)16-18-13-7-9-14(10-8-13)19(20)21/h2-10,17H,1H3/b15-11+,18-16?
InChIKey
FHIGZTOTTOEVNT-DNTUAUKYSA-N
Compound name
N'-anilino-N-(4-nitrophenyl)iminoethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10693 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11421 160.2
[M+Na]+ 306.09615 164.1
[M-H]- 282.09965 170.4
[M+NH4]+ 301.14075 175.0
[M+K]+ 322.07009 158.5
[M+H-H2O]+ 266.10419 154.7
[M+HCOO]- 328.10513 193.1
[M+CH3COO]- 342.12078 208.9
[M+Na-2H]- 304.08160 170.3
[M]+ 283.10638 158.7
[M]- 283.10748 158.7
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