CID 44151438

83968-96-1

Structural Information

Molecular Formula
C22H26N3
SMILES
CC1CC(=NN1C2=CC=C(C=C2)C)C3=[N+](C4=CC=CC=C4C3(C)C)C
InChI
InChI=1S/C22H26N3/c1-15-10-12-17(13-11-15)25-16(2)14-19(23-25)21-22(3,4)18-8-6-7-9-20(18)24(21)5/h6-13,16H,14H2,1-5H3/q+1
InChIKey
LEWSDMPEMPPATF-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-[3-methyl-2-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]indol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21268 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.219956 185.1
[M+Na]+ 355.201898 195.8
[M-H]- 331.205404 193.6
[M+NH4]+ 350.246503 201.9
[M+K]+ 371.175838 183.7
[M+H-H2O]+ 315.209940 178.0
[M+HCOO]- 377.210881 203.7
[M+CH3COO]- 391.226531 207.6
[M+Na-2H]- 353.187346 186.2
[M]+ 332.21213142 186.2
[M]- 332.21322858 186.2
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.