CID 12465520

90358-83-1

Structural Information

Molecular Formula
C17H26N4O2
SMILES
C1CCN(C2=C(C1)N=CC=C2)C(=O)CN3CCN(CC3)CCO
InChI
InChI=1S/C17H26N4O2/c22-13-12-19-8-10-20(11-9-19)14-17(23)21-7-2-1-4-15-16(21)5-3-6-18-15/h3,5-6,22H,1-2,4,7-14H2
InChIKey
DRZWCFUMPLUFHB-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.20557 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21285 176.8
[M+Na]+ 341.19479 179.1
[M-H]- 317.19829 177.1
[M+NH4]+ 336.23939 184.8
[M+K]+ 357.16873 178.5
[M+H-H2O]+ 301.20283 164.8
[M+HCOO]- 363.20377 185.5
[M+CH3COO]- 377.21942 183.1
[M+Na-2H]- 339.18024 178.1
[M]+ 318.20502 168.3
[M]- 318.20612 168.3
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.