CID 163578

Einecs 289-545-5

Structural Information

Molecular Formula
C21H22N5
SMILES
CC1=C(C2=CC=CC=C2N1C)N=NC3=C[N+](=C(N3C4=CC=CC=C4)C)C
InChI
InChI=1S/C21H22N5/c1-15-21(18-12-8-9-13-19(18)25(15)4)23-22-20-14-24(3)16(2)26(20)17-10-6-5-7-11-17/h5-14H,1-4H3/q+1
InChIKey
LHCXGSKUOQAXOA-UHFFFAOYSA-N
Compound name
(1,2-dimethylindol-3-yl)-(1,2-dimethyl-3-phenylimidazol-1-ium-4-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.18753 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19481 186.4
[M+Na]+ 367.17675 197.7
[M-H]- 343.18025 198.0
[M+NH4]+ 362.22135 201.4
[M+K]+ 383.15069 186.2
[M+H-H2O]+ 327.18479 178.1
[M+HCOO]- 389.18573 213.1
[M+CH3COO]- 403.20138 217.6
[M+Na-2H]- 365.16220 191.2
[M]+ 344.18698 191.2
[M]- 344.18808 191.2
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.