CID 453604

136723-03-0

Structural Information

Molecular Formula
C17H25N3O
SMILES
CCCN1CC2=C3C(=CC=C2)N(C(=O)N3CC1C)C(C)C
InChI
InChI=1S/C17H25N3O/c1-5-9-18-11-14-7-6-8-15-16(14)19(10-13(18)4)17(21)20(15)12(2)3/h6-8,12-13H,5,9-11H2,1-4H3
InChIKey
SUHLWLBRKBZCOM-UHFFFAOYSA-N
Compound name
11-methyl-3-propan-2-yl-10-propyl-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.19977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 169.1
[M+Na]+ 310.18899 178.4
[M-H]- 286.19249 172.1
[M+NH4]+ 305.23359 185.2
[M+K]+ 326.16293 177.1
[M+H-H2O]+ 270.19703 161.0
[M+HCOO]- 332.19797 185.1
[M+CH3COO]- 346.21362 180.0
[M+Na-2H]- 308.17444 170.7
[M]+ 287.19922 171.0
[M]- 287.20032 171.0
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.