CID 16790384

954272-04-9

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1CN(C2=CC=CC=C21)C(=O)C3=CC(=CC=C3)N
InChI
InChI=1S/C15H14N2O/c16-13-6-3-5-12(10-13)15(18)17-9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9,16H2
InChIKey
IMSWSKYWTRVQCW-UHFFFAOYSA-N
Compound name
(3-aminophenyl)-(2,3-dihydroindol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 153.4
[M+Na]+ 261.099828 161.0
[M-H]- 237.103334 159.4
[M+NH4]+ 256.144433 171.9
[M+K]+ 277.073768 156.3
[M+H-H2O]+ 221.107870 145.7
[M+HCOO]- 283.108811 175.2
[M+CH3COO]- 297.124461 165.6
[M+Na-2H]- 259.085276 157.3
[M]+ 238.11006142 150.7
[M]- 238.11115858 150.7
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

No patent data available for this compound.