CID 13469331

95968-77-7

Structural Information

Molecular Formula
C19H23N3O
SMILES
C1CCN(C1)CCNC2C3=C(COC4=CC=CC=C24)N=CC=C3
InChI
InChI=1S/C19H23N3O/c1-2-8-18-16(6-1)19(21-10-13-22-11-3-4-12-22)15-7-5-9-20-17(15)14-23-18/h1-2,5-9,19,21H,3-4,10-14H2
InChIKey
FNJSWRBBMNEIRB-UHFFFAOYSA-N
Compound name
N-(2-pyrrolidin-1-ylethyl)-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

309.1841 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 172.6
[M+Na]+ 332.17332 177.2
[M-H]- 308.17682 179.1
[M+NH4]+ 327.21792 185.6
[M+K]+ 348.14726 175.8
[M+H-H2O]+ 292.18136 163.4
[M+HCOO]- 354.18230 188.7
[M+CH3COO]- 368.19795 181.9
[M+Na-2H]- 330.15877 177.1
[M]+ 309.18355 167.6
[M]- 309.18465 167.6
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.