CID 19062

3-methoxy-4-aminoazobenzene

Structural Information

Molecular Formula
C13H13N3O
SMILES
COC1=C(C=CC(=C1)N=NC2=CC=CC=C2)N
InChI
InChI=1S/C13H13N3O/c1-17-13-9-11(7-8-12(13)14)16-15-10-5-3-2-4-6-10/h2-9H,14H2,1H3
InChIKey
BQDAFHDHPLPCLC-UHFFFAOYSA-N
Compound name
2-methoxy-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

148
Patents

227.10587 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.113146 148.6
[M+Na]+ 250.095088 156.1
[M-H]- 226.098594 158.0
[M+NH4]+ 245.139693 166.9
[M+K]+ 266.069028 153.7
[M+H-H2O]+ 210.103130 140.0
[M+HCOO]- 272.104071 179.2
[M+CH3COO]- 286.119721 201.1
[M+Na-2H]- 248.080536 156.8
[M]+ 227.10532142 149.4
[M]- 227.10641858 149.4
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