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]+ 375.110606 189.4
[M+Na]+ 397.092548 196.6
[M-H]- 373.096054 195.6
[M+NH4]+ 392.137153 202.9
[M+K]+ 413.066488 187.3
[M+H-H2O]+ 357.100590 186.3
[M+HCOO]- 419.101531 205.5
[M+CH3COO]- 433.117181 211.7
[M+Na-2H]- 395.077996 190.6
[M]+ 374.10278142 192.8
[M]- 374.10387858 192.8
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.