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]+ 242.16518 156.3
[M+Na]+ 264.14712 164.2
[M-H]- 240.15062 155.4
[M+NH4]+ 259.19172 173.4
[M+K]+ 280.12106 156.8
[M+H-H2O]+ 224.15516 147.8
[M+HCOO]- 286.15610 167.7
[M+CH3COO]- 300.17175 165.9
[M+Na-2H]- 262.13257 161.0
[M]+ 241.15735 150.1
[M]- 241.15845 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.