CID 59810444

2241142-06-1

Structural Information

Molecular Formula
C16H17NO
SMILES
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)C)C
InChI
InChI=1S/C16H17NO/c1-11-7-6-10-15(12(11)2)17-16-9-5-4-8-14(16)13(3)18/h4-10,17H,1-3H3
InChIKey
VBIZUKRIAWKHQE-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dimethylanilino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

239.13101 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.138286 154.7
[M+Na]+ 262.120228 162.4
[M-H]- 238.123734 161.9
[M+NH4]+ 257.164833 172.3
[M+K]+ 278.094168 158.5
[M+H-H2O]+ 222.128270 147.3
[M+HCOO]- 284.129211 178.8
[M+CH3COO]- 298.144861 198.4
[M+Na-2H]- 260.105676 158.7
[M]+ 239.13046142 155.1
[M]- 239.13155858 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe