CID 8411

3,3'-dimethoxybenzidine

Structural Information

Molecular Formula
C14H16N2O2
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
InChI
InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
InChIKey
JRBJSXQPQWSCCF-UHFFFAOYSA-N
Compound name
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

209
References

30679
Patents

244.12119 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 155.2
[M+Na]+ 267.110408 163.7
[M-H]- 243.113914 161.9
[M+NH4]+ 262.155013 172.1
[M+K]+ 283.084348 160.3
[M+H-H2O]+ 227.118450 147.6
[M+HCOO]- 289.119391 180.8
[M+CH3COO]- 303.135041 199.6
[M+Na-2H]- 265.095856 159.0
[M]+ 244.12064142 155.3
[M]- 244.12173858 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe