CID 206446

Brn 5326843

Structural Information

Molecular Formula
C15H19N3
SMILES
C[C@H]1C2=C(C[C@H]3N1CCNC3)C4=CC=CC=C4N2
InChI
InChI=1S/C15H19N3/c1-10-15-13(8-11-9-16-6-7-18(10)11)12-4-2-3-5-14(12)17-15/h2-5,10-11,16-17H,6-9H2,1H3/t10-,11+/m0/s1
InChIKey
IZVFDIMDWVWLIZ-WDEREUQCSA-N
Compound name
(2S,8R)-2-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.165176 156.3
[M+Na]+ 264.147118 164.2
[M-H]- 240.150624 155.4
[M+NH4]+ 259.191723 173.4
[M+K]+ 280.121058 156.8
[M+H-H2O]+ 224.155160 147.8
[M+HCOO]- 286.156101 167.7
[M+CH3COO]- 300.171751 165.9
[M+Na-2H]- 262.132566 161.0
[M]+ 241.15735142 150.1
[M]- 241.15844858 150.1
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.