CID 14581

N-phenyl-p-anisidine

Structural Information

Molecular Formula
C13H13NO
SMILES
COC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C13H13NO/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKey
OBHGSIGHEBGGFS-UHFFFAOYSA-N
Compound name
4-methoxy-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

817
Patents

199.09972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 142.0
[M+Na]+ 222.088938 149.2
[M-H]- 198.092444 148.8
[M+NH4]+ 217.133543 160.8
[M+K]+ 238.062878 145.9
[M+H-H2O]+ 182.096980 134.7
[M+HCOO]- 244.097921 168.0
[M+CH3COO]- 258.113571 187.0
[M+Na-2H]- 220.074386 150.4
[M]+ 199.09917142 141.8
[M]- 199.10026858 141.8
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