CID 379757

Nsc664729

Structural Information

Molecular Formula
C18H17N5
SMILES
CC1=NC2=CC=CC=C2C(=C1CCN3C=CC=N3)N4C=CC=N4
InChI
InChI=1S/C18H17N5/c1-14-15(8-13-22-11-4-9-19-22)18(23-12-5-10-20-23)16-6-2-3-7-17(16)21-14/h2-7,9-12H,8,13H2,1H3
InChIKey
NWVIOLGQKQXJCL-UHFFFAOYSA-N
Compound name
2-methyl-4-pyrazol-1-yl-3-(2-pyrazol-1-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1484 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15568 171.5
[M+Na]+ 326.13762 182.6
[M-H]- 302.14112 176.8
[M+NH4]+ 321.18222 184.1
[M+K]+ 342.11156 175.6
[M+H-H2O]+ 286.14566 159.9
[M+HCOO]- 348.14660 191.7
[M+CH3COO]- 362.16225 182.7
[M+Na-2H]- 324.12307 174.9
[M]+ 303.14785 174.7
[M]- 303.14895 174.7
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.