CID 16727607

[methoxy(methyl)[?]yl] pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CN1C=CC2=NC=CC3=CC(=C(C1=C32)OC(=O)N4CCCC4)OC
InChI
InChI=1S/C18H19N3O3/c1-20-10-6-13-15-12(5-7-19-13)11-14(23-2)17(16(15)20)24-18(22)21-8-3-4-9-21/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKey
JICPHTQBJHHGEV-UHFFFAOYSA-N
Compound name
(11-methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-12-yl) pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.14264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 177.4
[M+Na]+ 348.13186 185.0
[M-H]- 324.13536 181.0
[M+NH4]+ 343.17646 191.3
[M+K]+ 364.10580 180.8
[M+H-H2O]+ 308.13990 167.4
[M+HCOO]- 370.14084 192.0
[M+CH3COO]- 384.15649 187.2
[M+Na-2H]- 346.11731 179.7
[M]+ 325.14209 179.4
[M]- 325.14319 179.4
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.