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]+ 274.155016 164.0
[M+Na]+ 296.136958 173.3
[M-H]- 272.140464 165.4
[M+NH4]+ 291.181563 177.9
[M+K]+ 312.110898 171.9
[M+H-H2O]+ 256.145000 155.8
[M+HCOO]- 318.145941 178.4
[M+CH3COO]- 332.161591 174.3
[M+Na-2H]- 294.122406 169.1
[M]+ 273.14719142 162.7
[M]- 273.14828858 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.