CID 24212838

1-(3-(2-chloro-3-methoxyphenyl)propanoyl)-2-methyl-5-nitroindoline

Structural Information

Molecular Formula
C19H19ClN2O4
SMILES
CC1CC2=C(N1C(=O)CCC3=C(C(=CC=C3)OC)Cl)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H19ClN2O4/c1-12-10-14-11-15(22(24)25)7-8-16(14)21(12)18(23)9-6-13-4-3-5-17(26-2)19(13)20/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKey
UUCJTZOLPBWJON-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-1-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10333 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11061 184.4
[M+Na]+ 397.09255 198.9
[M+NH4]+ 392.13715 191.8
[M+K]+ 413.06649 195.6
[M-H]- 373.09605 188.9
[M+Na-2H]- 395.07800 189.4
[M]+ 374.10278 187.9
[M]- 374.10388 187.9
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.