CID 214711

33852-22-1

Structural Information

Molecular Formula
C15H17N3O
SMILES
CC1=CC2=C(C=C1)C(=O)N3CC4CCCCN4C3=N2
InChI
InChI=1S/C15H17N3O/c1-10-5-6-12-13(8-10)16-15-17-7-3-2-4-11(17)9-18(15)14(12)19/h5-6,8,11H,2-4,7,9H2,1H3
InChIKey
SCSRMBSQNQHRTL-UHFFFAOYSA-N
Compound name
6-methyl-1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 159.5
[M+Na]+ 278.12638 173.8
[M+NH4]+ 273.17098 168.9
[M+K]+ 294.10032 167.6
[M-H]- 254.12988 161.8
[M+Na-2H]- 276.11183 163.4
[M]+ 255.13661 162.2
[M]- 255.13771 162.2
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.