CID 154699505

Ns00117268

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4O
InChI
InChI=1S/C15H14N4O2/c1-8-4-6-17-14-12(8)18-15(21)9-3-2-5-16-13(9)19(14)10-7-11(10)20/h2-6,10-11,20H,7H2,1H3,(H,18,21)
InChIKey
BFLZKCGARMNKLQ-UHFFFAOYSA-N
Compound name
2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 174.6
[M+Na]+ 305.100878 185.7
[M-H]- 281.104384 177.5
[M+NH4]+ 300.145483 181.3
[M+K]+ 321.074818 181.9
[M+H-H2O]+ 265.108920 165.1
[M+HCOO]- 327.109861 187.8
[M+CH3COO]- 341.125511 183.4
[M+Na-2H]- 303.086326 178.9
[M]+ 282.11111142 173.1
[M]- 282.11220858 173.1
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.