CID 377463

141300-29-0

Structural Information

Molecular Formula
C13H10N6O2
SMILES
COC1=CC=C(C=C1)N2C=NN3C2=NC4=C(C3=O)C=NN4
InChI
InChI=1S/C13H10N6O2/c1-21-9-4-2-8(3-5-9)18-7-15-19-12(20)10-6-14-17-11(10)16-13(18)19/h2-7H,1H3,(H,14,17)
InChIKey
XSUAKXJENOJVNQ-UHFFFAOYSA-N
Compound name
10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08652 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09380 162.4
[M+Na]+ 305.07574 177.0
[M-H]- 281.07924 164.6
[M+NH4]+ 300.12034 175.3
[M+K]+ 321.04968 170.5
[M+H-H2O]+ 265.08378 152.5
[M+HCOO]- 327.08472 181.7
[M+CH3COO]- 341.10037 174.4
[M+Na-2H]- 303.06119 168.5
[M]+ 282.08597 167.9
[M]- 282.08707 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.