CID 476249

Chembl45958

Structural Information

Molecular Formula
C17H19N7
SMILES
CCN1C2=C(C=CC=N2)C3=NN=C(N3C4=C1N=CC=C4)CN(C)C
InChI
InChI=1S/C17H19N7/c1-4-23-15-12(7-5-9-18-15)16-21-20-14(11-22(2)3)24(16)13-8-6-10-19-17(13)23/h5-10H,4,11H2,1-3H3
InChIKey
YHUOIAHLKZMAAV-UHFFFAOYSA-N
Compound name
1-(13-ethyl-2,4,5,11,13,15-hexazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7(12),8,10,15,17-octaen-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1702 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.17748 179.1
[M+Na]+ 344.15942 190.3
[M-H]- 320.16292 181.6
[M+NH4]+ 339.20402 190.5
[M+K]+ 360.13336 187.4
[M+H-H2O]+ 304.16746 166.3
[M+HCOO]- 366.16840 194.4
[M+CH3COO]- 380.18405 188.7
[M+Na-2H]- 342.14487 185.3
[M]+ 321.16965 181.0
[M]- 321.17075 181.0
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.