CID 2870504

1-methyl-3-nitro-4-(pyrrolidin-1-yl)-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C14H15N3O3
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCCC3
InChI
InChI=1S/C14H15N3O3/c1-15-11-7-3-2-6-10(11)12(16-8-4-5-9-16)13(14(15)18)17(19)20/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey
RDCSGQHBMDVODV-UHFFFAOYSA-N
Compound name
1-methyl-3-nitro-4-pyrrolidin-1-ylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

273.11133 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11861 160.3
[M+Na]+ 296.10055 168.0
[M-H]- 272.10405 165.8
[M+NH4]+ 291.14515 175.8
[M+K]+ 312.07449 159.9
[M+H-H2O]+ 256.10859 156.4
[M+HCOO]- 318.10953 181.0
[M+CH3COO]- 332.12518 192.9
[M+Na-2H]- 294.08600 165.7
[M]+ 273.11078 157.9
[M]- 273.11188 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.