CID 169333

31612-53-0

Structural Information

Molecular Formula
C22H24N3
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CN3CCC(=N3)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H24N3/c1-22(2)18-11-7-8-12-20(18)24(3)21(22)14-16-25-15-13-19(23-25)17-9-5-4-6-10-17/h4-12,14,16H,13,15H2,1-3H3/q+1
InChIKey
LFSWKJFQRVGANB-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-[2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethenyl]indol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

330.19702 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20430 185.3
[M+Na]+ 353.18624 194.6
[M-H]- 329.18974 193.0
[M+NH4]+ 348.23084 201.5
[M+K]+ 369.16018 181.9
[M+H-H2O]+ 313.19428 177.5
[M+HCOO]- 375.19522 204.1
[M+CH3COO]- 389.21087 203.8
[M+Na-2H]- 351.17169 187.6
[M]+ 330.19647 184.7
[M]- 330.19757 184.7
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

patents stripe