CID 11729012

[4-[(2e)-2-(1,3-benzothiazol-2-ylhydrazono)-3-ethyl-thiazol-4-yl]phenyl]-hydroxy-oxo-ammonium

Structural Information

Molecular Formula
C18H15N5O2S2
SMILES
CCN\1C(=CS/C1=N/NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H15N5O2S2/c1-2-22-15(12-7-9-13(10-8-12)23(24)25)11-26-18(22)21-20-17-19-14-5-3-4-6-16(14)27-17/h3-11H,2H2,1H3,(H,19,20)/b21-18+
InChIKey
FOJAAUZICDDYPZ-DYTRJAOYSA-N
Compound name
N-[(E)-[3-ethyl-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]amino]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.0667 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.07398 186.4
[M+Na]+ 420.05592 195.6
[M-H]- 396.05942 197.2
[M+NH4]+ 415.10052 199.6
[M+K]+ 436.02986 184.6
[M+H-H2O]+ 380.06396 182.6
[M+HCOO]- 442.06490 205.1
[M+CH3COO]- 456.08055 217.1
[M+Na-2H]- 418.04137 191.2
[M]+ 397.06615 189.5
[M]- 397.06725 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.