CID 3041158

Brn 1217249

Structural Information

Molecular Formula
C12H10N4
SMILES
CC1=NN=C2N1CC3=CNC4=CC=CC2=C34
InChI
InChI=1S/C12H10N4/c1-7-14-15-12-9-3-2-4-10-11(9)8(5-13-10)6-16(7)12/h2-5,13H,6H2,1H3
InChIKey
NZEYYCRFYLXEHL-UHFFFAOYSA-N
Compound name
5-methyl-3,4,6,10-tetrazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,8,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 144.4
[M+Na]+ 233.07977 159.3
[M+NH4]+ 228.12437 153.7
[M+K]+ 249.05371 155.6
[M-H]- 209.08327 145.2
[M+Na-2H]- 231.06522 149.1
[M]+ 210.09000 146.8
[M]- 210.09110 146.8
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

patents stripe