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]+ 258.19648 161.0
[M+Na]+ 280.17842 167.5
[M-H]- 256.18192 165.7
[M+NH4]+ 275.22302 179.1
[M+K]+ 296.15236 167.1
[M+H-H2O]+ 240.18646 153.1
[M+HCOO]- 302.18740 180.8
[M+CH3COO]- 316.20305 172.3
[M+Na-2H]- 278.16387 166.2
[M]+ 257.18865 161.4
[M]- 257.18975 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.