CID 111823

68929-07-7

Structural Information

Molecular Formula
C19H23N4O2S
SMILES
CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=CC(=C3)OC)C
InChI
InChI=1S/C19H23N4O2S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-13-16(25-3)9-10-18(17)26-19/h5-10,13,24H,4,11-12H2,1-3H3/q+1
InChIKey
GWLGROHMGDOIGP-UHFFFAOYSA-N
Compound name
2-[N-ethyl-4-[(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

371.15417 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16145 186.6
[M+Na]+ 394.14339 194.6
[M-H]- 370.14689 196.5
[M+NH4]+ 389.18799 201.4
[M+K]+ 410.11733 185.2
[M+H-H2O]+ 354.15143 179.8
[M+HCOO]- 416.15237 209.9
[M+CH3COO]- 430.16802 221.3
[M+Na-2H]- 392.12884 192.4
[M]+ 371.15362 194.2
[M]- 371.15472 194.2
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.