CID 710466

1-(3-methylbenzoyl)indoline

Structural Information

Molecular Formula
C16H15NO
SMILES
CC1=CC(=CC=C1)C(=O)N2CCC3=CC=CC=C32
InChI
InChI=1S/C16H15NO/c1-12-5-4-7-14(11-12)16(18)17-10-9-13-6-2-3-8-15(13)17/h2-8,11H,9-10H2,1H3
InChIKey
PJVLOZBKSVYKMD-UHFFFAOYSA-N
Compound name
2,3-dihydroindol-1-yl-(3-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.11537 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 154.2
[M+Na]+ 260.10459 162.2
[M-H]- 236.10809 160.6
[M+NH4]+ 255.14919 173.4
[M+K]+ 276.07853 157.7
[M+H-H2O]+ 220.11263 146.6
[M+HCOO]- 282.11357 175.3
[M+CH3COO]- 296.12922 166.8
[M+Na-2H]- 258.09004 157.9
[M]+ 237.11482 153.4
[M]- 237.11592 153.4
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