CID 452826

126233-86-1

Structural Information

Molecular Formula
C14H19N3O
SMILES
CC1CN2C3=C(CN1C(C)C)C=CC=C3NC2=O
InChI
InChI=1S/C14H19N3O/c1-9(2)16-8-11-5-4-6-12-13(11)17(7-10(16)3)14(18)15-12/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)
InChIKey
GHPVDUQEBJCILW-UHFFFAOYSA-N
Compound name
11-methyl-10-propan-2-yl-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

245.15282 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 156.4
[M+Na]+ 268.14204 165.9
[M-H]- 244.14554 158.4
[M+NH4]+ 263.18664 173.2
[M+K]+ 284.11598 164.4
[M+H-H2O]+ 228.15008 149.0
[M+HCOO]- 290.15102 172.2
[M+CH3COO]- 304.16667 167.7
[M+Na-2H]- 266.12749 159.9
[M]+ 245.15227 155.4
[M]- 245.15337 155.4
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.