CID 206830

28740-95-6

Structural Information

Molecular Formula
C17H25N3
SMILES
CCN(CC)CCN1CCN2C=CC3=C2C(=CC=C3)C1
InChI
InChI=1S/C17H25N3/c1-3-18(4-2)10-11-19-12-13-20-9-8-15-6-5-7-16(14-19)17(15)20/h5-9H,3-4,10-14H2,1-2H3
InChIKey
RSNJQPJYJVCVTH-UHFFFAOYSA-N
Compound name
2-(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.20483 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.21211 161.8
[M+Na]+ 294.19405 172.1
[M+NH4]+ 289.23865 170.0
[M+K]+ 310.16799 167.4
[M-H]- 270.19755 164.1
[M+Na-2H]- 292.17950 166.5
[M]+ 271.20428 164.0
[M]- 271.20538 164.0
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.