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

1
Patents

283.10693 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.114206 160.2
[M+Na]+ 306.096148 164.1
[M-H]- 282.099654 170.4
[M+NH4]+ 301.140753 175.0
[M+K]+ 322.070088 158.5
[M+H-H2O]+ 266.104190 154.7
[M+HCOO]- 328.105131 193.1
[M+CH3COO]- 342.120781 208.9
[M+Na-2H]- 304.081596 170.3
[M]+ 283.10638142 158.7
[M]- 283.10747858 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