CID 188249

Jl13

Structural Information

Molecular Formula
C17H17ClN4O
SMILES
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)OC4=C2C=CC=N4
InChI
InChI=1S/C17H17ClN4O/c1-21-7-9-22(10-8-21)16-13-3-2-6-19-17(13)23-15-5-4-12(18)11-14(15)20-16/h2-6,11H,7-10H2,1H3
InChIKey
XUSZOVSAUPFWTP-UHFFFAOYSA-N
Compound name
8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

18
Patents

328.1091 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.116376 176.7
[M+Na]+ 351.098318 186.6
[M-H]- 327.101824 180.8
[M+NH4]+ 346.142923 186.4
[M+K]+ 367.072258 184.4
[M+H-H2O]+ 311.106360 164.4
[M+HCOO]- 373.107301 184.6
[M+CH3COO]- 387.122951 185.8
[M+Na-2H]- 349.083766 182.3
[M]+ 328.10855142 174.4
[M]- 328.10964858 174.4
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.