CID 173403

75284-34-3

Structural Information

Molecular Formula
C15H18N5
SMILES
CC1=C(C=[N+](N1C)C)N=NC2=CN(C3=CC=CC=C32)C
InChI
InChI=1S/C15H18N5/c1-11-13(10-19(3)20(11)4)16-17-14-9-18(2)15-8-6-5-7-12(14)15/h5-10H,1-4H3/q+1
InChIKey
AGEPWRWNSMKKFY-UHFFFAOYSA-N
Compound name
(1-methylindol-3-yl)-(1,2,3-trimethylpyrazol-1-ium-4-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15622 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16350 162.6
[M+Na]+ 291.14544 174.6
[M-H]- 267.14894 171.2
[M+NH4]+ 286.19004 181.1
[M+K]+ 307.11938 165.3
[M+H-H2O]+ 251.15348 156.0
[M+HCOO]- 313.15442 190.3
[M+CH3COO]- 327.17007 202.9
[M+Na-2H]- 289.13089 169.5
[M]+ 268.15567 167.6
[M]- 268.15677 167.6
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.