CID 293664

Nsc160529

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CC1CC(N2CCC(C2O1)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3)(C)C
InChI
InChI=1S/C22H27N3O2/c1-14-11-22(2,3)25-9-8-17(21(25)27-14)20(26)24-12-16-10-15-6-4-5-7-18(15)23-19(16)13-24/h4-7,10,14,17,21H,8-9,11-13H2,1-3H3
InChIKey
NPMYSDYHYASACI-UHFFFAOYSA-N
Compound name
1,3-dihydropyrrolo[3,4-b]quinolin-2-yl-(2,4,4-trimethyl-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazin-8-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.21033 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 191.3
[M+Na]+ 388.19955 198.6
[M-H]- 364.20305 196.8
[M+NH4]+ 383.24415 206.7
[M+K]+ 404.17349 193.7
[M+H-H2O]+ 348.20759 181.8
[M+HCOO]- 410.20853 200.9
[M+CH3COO]- 424.22418 199.9
[M+Na-2H]- 386.18500 188.5
[M]+ 365.20978 189.4
[M]- 365.21088 189.4
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.