CID 99130

4349-84-2

Structural Information

Molecular Formula
C12H10N6
SMILES
CC1=NN=C2N1N=C3C4=CC=CC=C4N(C3=N2)C
InChI
InChI=1S/C12H10N6/c1-7-14-15-12-13-11-10(16-18(7)12)8-5-3-4-6-9(8)17(11)2/h3-6H,1-2H3
InChIKey
UXHOLPARXQTOFH-UHFFFAOYSA-N
Compound name
8,14-dimethyl-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.0967 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10398 155.0
[M+Na]+ 261.08592 170.9
[M-H]- 237.08942 156.0
[M+NH4]+ 256.13052 172.0
[M+K]+ 277.05986 164.7
[M+H-H2O]+ 221.09396 145.6
[M+HCOO]- 283.09490 174.2
[M+CH3COO]- 297.11055 168.0
[M+Na-2H]- 259.07137 162.2
[M]+ 238.09615 161.4
[M]- 238.09725 161.4
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.