CID 14475245

Ns00091865

Structural Information

Molecular Formula
C12H12N2
SMILES
C1CN2C=CC=CC2=C3N1C=CC=C3
InChI
InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2
InChIKey
ODWHOGPXACKTCJ-UHFFFAOYSA-N
Compound name
7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

184.10005 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.107326 138.1
[M+Na]+ 207.089268 146.0
[M-H]- 183.092774 140.1
[M+NH4]+ 202.133873 157.1
[M+K]+ 223.063208 141.7
[M+H-H2O]+ 167.097310 129.7
[M+HCOO]- 229.098251 155.8
[M+CH3COO]- 243.113901 150.3
[M+Na-2H]- 205.074716 148.4
[M]+ 184.09950142 135.0
[M]- 184.10059858 135.0
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