CID 206832

28740-96-7

Structural Information

Molecular Formula
C16H23N3
SMILES
CN(C)CCCN1CCN2C=CC3=C2C(=CC=C3)C1
InChI
InChI=1S/C16H23N3/c1-17(2)8-4-9-18-11-12-19-10-7-14-5-3-6-15(13-18)16(14)19/h3,5-7,10H,4,8-9,11-13H2,1-2H3
InChIKey
IOLXZDQVRCYZGC-UHFFFAOYSA-N
Compound name
3-(1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.196476 161.0
[M+Na]+ 280.178418 167.5
[M-H]- 256.181924 165.7
[M+NH4]+ 275.223023 179.1
[M+K]+ 296.152358 167.1
[M+H-H2O]+ 240.186460 153.1
[M+HCOO]- 302.187401 180.8
[M+CH3COO]- 316.203051 172.3
[M+Na-2H]- 278.163866 166.2
[M]+ 257.18865142 161.4
[M]- 257.18974858 161.4
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.