CID 16205614

85392-17-2

Structural Information

Molecular Formula
C18H19N5O3S
SMILES
CCN(CCO)C1=CC(=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-])C
InChI
InChI=1S/C18H19N5O3S/c1-3-22(8-9-24)13-4-6-16(12(2)10-13)19-20-18-15-11-14(23(25)26)5-7-17(15)21-27-18/h4-7,10-11,24H,3,8-9H2,1-2H3
InChIKey
CEYYUMLIVMNONK-UHFFFAOYSA-N
Compound name
2-[N-ethyl-3-methyl-4-[(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

385.12085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.128126 186.3
[M+Na]+ 408.110068 192.5
[M-H]- 384.113574 195.8
[M+NH4]+ 403.154673 199.3
[M+K]+ 424.084008 184.6
[M+H-H2O]+ 368.118110 181.0
[M+HCOO]- 430.119051 210.7
[M+CH3COO]- 444.134701 224.5
[M+Na-2H]- 406.095516 192.5
[M]+ 385.12030142 191.4
[M]- 385.12139858 191.4
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