CID 3065236

107369-98-2

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]+ 266.165176 163.2
[M+Na]+ 288.147118 173.1
[M-H]- 264.150624 166.4
[M+NH4]+ 283.191723 179.8
[M+K]+ 304.121058 169.1
[M+H-H2O]+ 248.155160 155.2
[M+HCOO]- 310.156101 178.2
[M+CH3COO]- 324.171751 173.9
[M+Na-2H]- 286.132566 168.2
[M]+ 265.15735142 160.0
[M]- 265.15844858 160.0
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.