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]+ 283.11894 174.6
[M+Na]+ 305.10088 185.7
[M-H]- 281.10438 177.5
[M+NH4]+ 300.14548 181.3
[M+K]+ 321.07482 181.9
[M+H-H2O]+ 265.10892 165.1
[M+HCOO]- 327.10986 187.8
[M+CH3COO]- 341.12551 183.4
[M+Na-2H]- 303.08633 178.9
[M]+ 282.11111 173.1
[M]- 282.11221 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.