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
1
Annotation Hits

0
References

6
Patents

385.12085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12813 186.3
[M+Na]+ 408.11007 192.5
[M-H]- 384.11357 195.8
[M+NH4]+ 403.15467 199.3
[M+K]+ 424.08401 184.6
[M+H-H2O]+ 368.11811 181.0
[M+HCOO]- 430.11905 210.7
[M+CH3COO]- 444.13470 224.5
[M+Na-2H]- 406.09552 192.5
[M]+ 385.12030 191.4
[M]- 385.12140 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