CID 12285708

102280-95-5

Structural Information

Molecular Formula
C19H18N2O
SMILES
CN1CCC2=C1N(C3=CC=CC=C3C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H18N2O/c1-20-12-11-16-18(22)15-9-5-6-10-17(15)21(19(16)20)13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKey
TWEOYNVFXSVKQL-UHFFFAOYSA-N
Compound name
9-benzyl-1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1419 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.149176 168.9
[M+Na]+ 313.131118 178.8
[M-H]- 289.134624 175.0
[M+NH4]+ 308.175723 185.7
[M+K]+ 329.105058 172.1
[M+H-H2O]+ 273.139160 159.5
[M+HCOO]- 335.140101 188.0
[M+CH3COO]- 349.155751 180.5
[M+Na-2H]- 311.116566 173.0
[M]+ 290.14135142 169.6
[M]- 290.14244858 169.6
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.