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]+ 291.14918 168.9
[M+Na]+ 313.13112 178.8
[M-H]- 289.13462 175.0
[M+NH4]+ 308.17572 185.7
[M+K]+ 329.10506 172.1
[M+H-H2O]+ 273.13916 159.5
[M+HCOO]- 335.14010 188.0
[M+CH3COO]- 349.15575 180.5
[M+Na-2H]- 311.11657 173.0
[M]+ 290.14135 169.6
[M]- 290.14245 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.