CID 4623755

N,n'-methylenebis(2-methoxy-4-nitroaniline)

Structural Information

Molecular Formula
C15H16N4O6
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])NCNC2=C(C=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C15H16N4O6/c1-24-14-7-10(18(20)21)3-5-12(14)16-9-17-13-6-4-11(19(22)23)8-15(13)25-2/h3-8,16-17H,9H2,1-2H3
InChIKey
FNESUBKAWXRMAK-UHFFFAOYSA-N
Compound name
N,N'-bis(2-methoxy-4-nitrophenyl)methanediamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11428 175.4
[M+Na]+ 371.09622 178.8
[M-H]- 347.09972 181.8
[M+NH4]+ 366.14082 185.3
[M+K]+ 387.07016 168.6
[M+H-H2O]+ 331.10426 174.7
[M+HCOO]- 393.10520 202.3
[M+CH3COO]- 407.12085 206.9
[M+Na-2H]- 369.08167 183.8
[M]+ 348.10645 174.4
[M]- 348.10755 174.4
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.