CID 10087661

Tjipanazole d

Structural Information

Molecular Formula
C18H10Cl2N2
SMILES
C1=CC2=C(C=C1Cl)C3=C(N2)C4=C(C=C3)C5=C(N4)C=CC(=C5)Cl
InChI
InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
InChIKey
NNZIVRYPHRMPQM-UHFFFAOYSA-N
Compound name
3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

324.0221 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.02938 171.6
[M+Na]+ 347.01132 188.1
[M-H]- 323.01482 175.2
[M+NH4]+ 342.05592 191.6
[M+K]+ 362.98526 177.1
[M+H-H2O]+ 307.01936 165.5
[M+HCOO]- 369.02030 182.6
[M+CH3COO]- 383.03595 183.9
[M+Na-2H]- 344.99677 177.2
[M]+ 324.02155 178.6
[M]- 324.02265 178.6
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.