CID 206445

Brn 5326766

Structural Information

Molecular Formula
C15H17N3O
SMILES
C[C@H]1C2=C(C[C@H]3N1CCNC3=O)C4=CC=CC=C4N2
InChI
InChI=1S/C15H17N3O/c1-9-14-11(10-4-2-3-5-12(10)17-14)8-13-15(19)16-6-7-18(9)13/h2-5,9,13,17H,6-8H2,1H3,(H,16,19)/t9-,13+/m0/s1
InChIKey
DKSMUBDQKJDJFZ-TVQRCGJNSA-N
Compound name
(2S,8R)-2-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 160.0
[M+Na]+ 278.12638 173.2
[M+NH4]+ 273.17098 168.6
[M+K]+ 294.10032 167.5
[M-H]- 254.12988 161.2
[M+Na-2H]- 276.11183 162.7
[M]+ 255.13661 162.1
[M]- 255.13771 162.1
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.