CID 214709

Brn 0621485

Structural Information

Molecular Formula
C15H17N3O
SMILES
CC1=C2C(=CC=C1)C(=O)N3CC4CCCCN4C3=N2
InChI
InChI=1S/C15H17N3O/c1-10-5-4-7-12-13(10)16-15-17-8-3-2-6-11(17)9-18(15)14(12)19/h4-5,7,11H,2-3,6,8-9H2,1H3
InChIKey
RKXURLDACWXCGA-UHFFFAOYSA-N
Compound name
7-methyl-1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9-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]+ 256.144436 159.3
[M+Na]+ 278.126378 168.9
[M-H]- 254.129884 161.4
[M+NH4]+ 273.170983 177.2
[M+K]+ 294.100318 163.1
[M+H-H2O]+ 238.134420 150.2
[M+HCOO]- 300.135361 173.8
[M+CH3COO]- 314.151011 170.3
[M+Na-2H]- 276.111826 163.9
[M]+ 255.13661142 157.6
[M]- 255.13770858 157.6
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.