CID 49970

67730-10-3

Structural Information

Molecular Formula
C10H8N4
SMILES
C1=CC2=NC3=C(N2C=C1)N=C(C=C3)N
InChI
InChI=1S/C10H8N4/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7/h1-6H,(H2,11,13)
InChIKey
BUXVIXBGMQXWGT-UHFFFAOYSA-N
Compound name
1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-4-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

48
References

192
Patents

184.07489 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08217 135.8
[M+Na]+ 207.06411 151.0
[M+NH4]+ 202.10871 145.0
[M+K]+ 223.03805 145.5
[M-H]- 183.06761 138.4
[M+Na-2H]- 205.04956 143.7
[M]+ 184.07434 138.7
[M]- 184.07544 138.7
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

patents stripe