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 157.3
[M+Na]+ 264.14712 170.6
[M+NH4]+ 259.19172 166.8
[M+K]+ 280.12106 164.3
[M-H]- 240.15062 159.2
[M+Na-2H]- 262.13257 160.7
[M]+ 241.15735 159.6
[M]- 241.15845 159.6
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.