CID 71306708

Epinastine impurity a

Structural Information

Molecular Formula
C16H13N3
SMILES
C1C2=CC=CC=C2C3=CN=C(N3C4=CC=CC=C41)N
InChI
InChI=1S/C16H13N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,10H,9H2,(H2,17,18)
InChIKey
HQGAYYUSWZSGDC-UHFFFAOYSA-N
Compound name
2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.11095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11823 154.8
[M+Na]+ 270.10017 167.8
[M+NH4]+ 265.14477 164.0
[M+K]+ 286.07411 162.6
[M-H]- 246.10367 158.5
[M+Na-2H]- 268.08562 161.3
[M]+ 247.11040 157.8
[M]- 247.11150 157.8
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