CID 452824

126234-01-3

Structural Information

Molecular Formula
C15H19N3O
SMILES
CC1CN2C3=C(CN1CC4CC4)C=CC=C3NC2=O
InChI
InChI=1S/C15H19N3O/c1-10-7-18-14-12(9-17(10)8-11-5-6-11)3-2-4-13(14)16-15(18)19/h2-4,10-11H,5-9H2,1H3,(H,16,19)
InChIKey
SWKYSCYHMCRSNH-UHFFFAOYSA-N
Compound name
10-(cyclopropylmethyl)-11-methyl-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

4
References

4
Patents

257.1528 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 162.8
[M+Na]+ 280.14202 173.4
[M-H]- 256.14552 167.5
[M+NH4]+ 275.18662 174.2
[M+K]+ 296.11596 169.4
[M+H-H2O]+ 240.15006 154.6
[M+HCOO]- 302.15100 179.1
[M+CH3COO]- 316.16665 173.2
[M+Na-2H]- 278.12747 166.3
[M]+ 257.15225 163.2
[M]- 257.15335 163.2
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.