CID 3655442

N,n'-bis(2-methyl-5-nitrophenyl)formamidine

Structural Information

Molecular Formula
C15H14N4O4
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC=NC2=C(C=CC(=C2)[N+](=O)[O-])C
InChI
InChI=1S/C15H14N4O4/c1-10-3-5-12(18(20)21)7-14(10)16-9-17-15-8-13(19(22)23)6-4-11(15)2/h3-9H,1-2H3,(H,16,17)
InChIKey
SGAHUNZKOXQOFW-UHFFFAOYSA-N
Compound name
N,N'-bis(2-methyl-5-nitrophenyl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.108776 170.7
[M+Na]+ 337.090718 175.5
[M-H]- 313.094224 178.6
[M+NH4]+ 332.135323 182.9
[M+K]+ 353.064658 164.4
[M+H-H2O]+ 297.098760 170.5
[M+HCOO]- 359.099701 198.9
[M+CH3COO]- 373.115351 203.7
[M+Na-2H]- 335.076166 178.6
[M]+ 314.10095142 168.3
[M]- 314.10204858 168.3
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.