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 189.4
[M+Na]+ 397.09255 196.6
[M-H]- 373.09605 195.6
[M+NH4]+ 392.13715 202.9
[M+K]+ 413.06649 187.3
[M+H-H2O]+ 357.10059 186.3
[M+HCOO]- 419.10153 205.5
[M+CH3COO]- 433.11718 211.7
[M+Na-2H]- 395.07800 190.6
[M]+ 374.10278 192.8
[M]- 374.10388 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.