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 165.6
[M+Na]+ 294.19405 171.6
[M-H]- 270.19755 170.0
[M+NH4]+ 289.23865 183.1
[M+K]+ 310.16799 171.0
[M+H-H2O]+ 254.20209 157.4
[M+HCOO]- 316.20303 185.0
[M+CH3COO]- 330.21868 176.4
[M+Na-2H]- 292.17950 170.2
[M]+ 271.20428 166.2
[M]- 271.20538 166.2
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.