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]+ 274.118606 160.3
[M+Na]+ 296.100548 168.0
[M-H]- 272.104054 165.8
[M+NH4]+ 291.145153 175.8
[M+K]+ 312.074488 159.9
[M+H-H2O]+ 256.108590 156.4
[M+HCOO]- 318.109531 181.0
[M+CH3COO]- 332.125181 192.9
[M+Na-2H]- 294.085996 165.7
[M]+ 273.11078142 157.9
[M]- 273.11187858 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.