CID 156582740

Tjipanazole m

Structural Information

Molecular Formula
C20H10ClN3O2
SMILES
C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=CC(=C6)Cl)NC5=C3N2)C(=O)NC4=O
InChI
InChI=1S/C20H10ClN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
InChIKey
CBNJGGAGZSSENK-UHFFFAOYSA-N
Compound name
7-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.04614 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.05342 181.5
[M+Na]+ 382.03536 197.6
[M-H]- 358.03886 185.7
[M+NH4]+ 377.07996 200.3
[M+K]+ 398.00930 187.2
[M+H-H2O]+ 342.04340 175.9
[M+HCOO]- 404.04434 193.8
[M+CH3COO]- 418.05999 193.0
[M+Na-2H]- 380.02081 183.4
[M]+ 359.04559 187.4
[M]- 359.04669 187.4
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

No patent data available for this compound.