CID 64424174

3-benzoyl-4-methoxyaniline hydrochloride

Structural Information

Molecular Formula
C14H13NO2
SMILES
COC1=C(C=C(C=C1)N)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO2/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKey
CWBOUNYPCOGQQD-UHFFFAOYSA-N
Compound name
(5-amino-2-methoxyphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 149.8
[M+Na]+ 250.08386 157.4
[M-H]- 226.08736 156.5
[M+NH4]+ 245.12846 167.3
[M+K]+ 266.05780 154.1
[M+H-H2O]+ 210.09190 142.4
[M+HCOO]- 272.09284 174.3
[M+CH3COO]- 286.10849 192.7
[M+Na-2H]- 248.06931 154.6
[M]+ 227.09409 149.5
[M]- 227.09519 149.5
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

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