CID 3065236

Brn 5560546

Structural Information

Molecular Formula
C17H19N3
SMILES
CC1=NC2=C(C3=C(C=C2)C4=C(N3)CCCC4)N=C(C1)C
InChI
InChI=1S/C17H19N3/c1-10-9-11(2)19-17-15(18-10)8-7-13-12-5-3-4-6-14(12)20-16(13)17/h7-8,20H,3-6,9H2,1-2H3
InChIKey
YBCOITSWEXSWIE-UHFFFAOYSA-N
Compound name
4,6-dimethyl-3,7,18-triazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),2(8),3,6,9,12(17)-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16518 161.8
[M+Na]+ 288.14712 174.9
[M+NH4]+ 283.19172 170.3
[M+K]+ 304.12106 169.6
[M-H]- 264.15062 164.0
[M+Na-2H]- 286.13257 166.6
[M]+ 265.15735 164.4
[M]- 265.15845 164.4
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.