CID 216353

130946-61-1

Structural Information

Molecular Formula
C21H17N3
SMILES
CC1=CC(=NC2=CC=CC=C12)N3C4=C(CC5=CC=CC=C54)C(=N3)C
InChI
InChI=1S/C21H17N3/c1-13-11-20(22-19-10-6-5-8-16(13)19)24-21-17-9-4-3-7-15(17)12-18(21)14(2)23-24/h3-11H,12H2,1-2H3
InChIKey
VOLSRXVQGQSSIL-UHFFFAOYSA-N
Compound name
3-methyl-1-(4-methylquinolin-2-yl)-4H-indeno[1,2-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14224 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14952 176.0
[M+Na]+ 334.13146 188.9
[M-H]- 310.13496 183.3
[M+NH4]+ 329.17606 193.8
[M+K]+ 350.10540 180.9
[M+H-H2O]+ 294.13950 166.6
[M+HCOO]- 356.14044 196.1
[M+CH3COO]- 370.15609 188.2
[M+Na-2H]- 332.11691 179.4
[M]+ 311.14169 180.1
[M]- 311.14279 180.1
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.