CID 21052

4-amino-3-methylbenzophenone

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

CC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C14H13NO/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h2-9H,15H2,1H3

InChIKey

ZCVUMNJAVAXADT-UHFFFAOYSA-N

Compound name

(4-amino-3-methylphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 211.09972 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.10700	147.4
[M+Na]+	234.08894	161.9
[M+NH4]+	229.13354	156.5
[M+K]+	250.06288	154.3
[M-H]-	210.09244	152.9
[M+Na-2H]-	232.07439	157.1
[M]+	211.09917	151.1
[M]-	211.10027	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe