CID 78651

2-amino-4-methylbenzophenone

Structural Information

Molecular Formula
C14H13NO
SMILES
CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)N
InChI
InChI=1S/C14H13NO/c1-10-7-8-12(13(15)9-10)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3
InChIKey
YINYAGBOKBLJHY-UHFFFAOYSA-N
Compound name
(2-amino-4-methylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

211.09972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 146.5
[M+Na]+ 234.08894 154.2
[M-H]- 210.09244 153.1
[M+NH4]+ 229.13354 164.7
[M+K]+ 250.06288 150.3
[M+H-H2O]+ 194.09698 139.4
[M+HCOO]- 256.09792 170.7
[M+CH3COO]- 270.11357 190.6
[M+Na-2H]- 232.07439 151.2
[M]+ 211.09917 144.8
[M]- 211.10027 144.8
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