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]+ 239.11789 153.4
[M+Na]+ 261.09983 161.0
[M-H]- 237.10333 159.4
[M+NH4]+ 256.14443 171.9
[M+K]+ 277.07377 156.3
[M+H-H2O]+ 221.10787 145.7
[M+HCOO]- 283.10881 175.2
[M+CH3COO]- 297.12446 165.6
[M+Na-2H]- 259.08528 157.3
[M]+ 238.11006 150.7
[M]- 238.11116 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.