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]+ 256.144436 159.5
[M+Na]+ 278.126378 168.4
[M-H]- 254.129884 159.0
[M+NH4]+ 273.170983 176.1
[M+K]+ 294.100318 161.0
[M+H-H2O]+ 238.134420 151.3
[M+HCOO]- 300.135361 171.1
[M+CH3COO]- 314.151011 169.3
[M+Na-2H]- 276.111826 163.5
[M]+ 255.13661142 154.4
[M]- 255.13770858 154.4
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.