CID 394794

Nsc698581

Structural Information

Molecular Formula
C23H16ClN3
SMILES
CN1C2=NC3=C(C=C(C=C3)Cl)C(=C2C(=N1)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H16ClN3/c1-27-23-21(22(26-27)16-10-6-3-7-11-16)20(15-8-4-2-5-9-15)18-14-17(24)12-13-19(18)25-23/h2-14H,1H3
InChIKey
IOCZGUZIDAVUOA-UHFFFAOYSA-N
Compound name
6-chloro-1-methyl-3,4-diphenylpyrazolo[3,4-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.10327 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11055 190.6
[M+Na]+ 392.09249 203.3
[M-H]- 368.09599 198.7
[M+NH4]+ 387.13709 203.2
[M+K]+ 408.06643 193.2
[M+H-H2O]+ 352.10053 178.7
[M+HCOO]- 414.10147 205.5
[M+CH3COO]- 428.11712 201.2
[M+Na-2H]- 390.07794 195.0
[M]+ 369.10272 195.0
[M]- 369.10382 195.0
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

No patent data available for this compound.