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]+ 257.164836 160.0
[M+Na]+ 279.146778 172.5
[M-H]- 255.150284 162.8
[M+NH4]+ 274.191383 180.9
[M+K]+ 295.120718 166.6
[M+H-H2O]+ 239.154820 153.7
[M+HCOO]- 301.155761 177.3
[M+CH3COO]- 315.171411 172.7
[M+Na-2H]- 277.132226 163.2
[M]+ 256.15701142 161.8
[M]- 256.15810858 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.