CID 84419

14408-21-0

Structural Information

Molecular Formula
C18H19N6O2S
SMILES
CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C18H19N6O2S/c1-2-23(13-12-22-10-4-3-5-11-22)16-8-6-15(7-9-16)20-21-18-19-14-17(27-18)24(25)26/h3-11,14H,2,12-13H2,1H3/q+1
InChIKey
RGZAXFFJCHYMEV-UHFFFAOYSA-N
Compound name
N-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

383.12903 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13631 187.2
[M+Na]+ 406.11825 190.9
[M-H]- 382.12175 198.2
[M+NH4]+ 401.16285 197.2
[M+K]+ 422.09219 177.6
[M+H-H2O]+ 366.12629 182.2
[M+HCOO]- 428.12723 211.0
[M+CH3COO]- 442.14288 217.3
[M+Na-2H]- 404.10370 195.6
[M]+ 383.12848 187.7
[M]- 383.12958 187.7
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