CID 165984025

2-{6-[2-(4-methylpiperazin-1-yl)ethyl]-10,13-dioxa-4,6-diazatricyclo[7.4.0.0,3,7]trideca-1(9),2,4,7-tetraen-5-yl}ethan-1-amine trihydrochloride

Structural Information

Molecular Formula
C18H27N5O2
SMILES
CN1CCN(CC1)CCN2C3=CC4=C(C=C3N=C2CCN)OCCO4
InChI
InChI=1S/C18H27N5O2/c1-21-4-6-22(7-5-21)8-9-23-15-13-17-16(24-10-11-25-17)12-14(15)20-18(23)2-3-19/h12-13H,2-11,19H2,1H3
InChIKey
WNKKQNBRJXIYNO-UHFFFAOYSA-N
Compound name
2-[3-[2-(4-methylpiperazin-1-yl)ethyl]-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.21646 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22374 186.4
[M+Na]+ 368.20568 192.8
[M-H]- 344.20918 189.3
[M+NH4]+ 363.25028 194.6
[M+K]+ 384.17962 189.0
[M+H-H2O]+ 328.21372 175.1
[M+HCOO]- 390.21466 197.2
[M+CH3COO]- 404.23031 194.2
[M+Na-2H]- 366.19113 188.0
[M]+ 345.21591 185.2
[M]- 345.21701 185.2
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.