CID 395679

Nsc700463

Structural Information

Molecular Formula
C18H14ClN3
SMILES
CC1=NN(C2=NC3=C(C=C(C=C3)Cl)C(=C12)C4=CC=CC=C4)C
InChI
InChI=1S/C18H14ClN3/c1-11-16-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)20-18(16)22(2)21-11/h3-10H,1-2H3
InChIKey
CTCNIILHJHZTRD-UHFFFAOYSA-N
Compound name
6-chloro-1,3-dimethyl-4-phenylpyrazolo[3,4-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08762 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09490 172.6
[M+Na]+ 330.07684 186.5
[M-H]- 306.08034 178.1
[M+NH4]+ 325.12144 188.7
[M+K]+ 346.05078 178.0
[M+H-H2O]+ 290.08488 162.9
[M+HCOO]- 352.08582 188.3
[M+CH3COO]- 366.10147 184.8
[M+Na-2H]- 328.06229 177.8
[M]+ 307.08707 178.1
[M]- 307.08817 178.1
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.