CID 132845

78299-79-3

Structural Information

Molecular Formula
C17H17N2
SMILES
CC1=CC2=C(C=C1)N3CCC[N+]3=C2C4=CC=CC=C4
InChI
InChI=1S/C17H17N2/c1-13-8-9-16-15(12-13)17(14-6-3-2-4-7-14)19-11-5-10-18(16)19/h2-4,6-9,12H,5,10-11H2,1H3/q+1
InChIKey
IQWHRVHICNHXIY-UHFFFAOYSA-N
Compound name
7-methyl-5-phenyl-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

249.13918 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14646 154.1
[M+Na]+ 272.12840 172.1
[M+NH4]+ 267.17300 165.8
[M+K]+ 288.10234 167.1
[M-H]- 248.13190 160.9
[M+Na-2H]- 270.11385 163.6
[M]+ 249.13863 159.2
[M]- 249.13973 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe