CID 453601

136723-00-7

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCCN1CC2=C3C(=CC=C2)NC(=O)C(=O)N3CC1C
InChI
InChI=1S/C15H19N3O2/c1-3-7-17-9-11-5-4-6-12-13(11)18(8-10(17)2)15(20)14(19)16-12/h4-6,10H,3,7-9H2,1-2H3,(H,16,19)
InChIKey
CCIDXHRGBIOSBB-UHFFFAOYSA-N
Compound name
12-methyl-11-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.14774 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 164.0
[M+Na]+ 296.13696 173.3
[M-H]- 272.14046 165.4
[M+NH4]+ 291.18156 177.9
[M+K]+ 312.11090 171.9
[M+H-H2O]+ 256.14500 155.8
[M+HCOO]- 318.14594 178.4
[M+CH3COO]- 332.16159 174.3
[M+Na-2H]- 294.12241 169.1
[M]+ 273.14719 162.7
[M]- 273.14829 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.