CID 94023

1,2,3,8-tetrahydro-1,2,3,3,5-pentamethyl-7h-pyrrolo[3,2-g]quinolin-7-one

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC1C(C2=C(N1C)C=C3C(=C2)C(=CC(=O)N3)C)(C)C
InChI
InChI=1S/C16H20N2O/c1-9-6-15(19)17-13-8-14-12(7-11(9)13)16(3,4)10(2)18(14)5/h6-8,10H,1-5H3,(H,17,19)
InChIKey
CMSOFVRQNSYALT-UHFFFAOYSA-N
Compound name
1,2,3,3,5-pentamethyl-2,8-dihydropyrrolo[3,2-g]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.0
[M+Na]+ 279.14678 172.5
[M-H]- 255.15028 162.8
[M+NH4]+ 274.19138 180.9
[M+K]+ 295.12072 166.6
[M+H-H2O]+ 239.15482 153.7
[M+HCOO]- 301.15576 177.3
[M+CH3COO]- 315.17141 172.7
[M+Na-2H]- 277.13223 163.2
[M]+ 256.15701 161.8
[M]- 256.15811 161.8
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.