CID 5757917

5347-22-8

Structural Information

Molecular Formula
C15H13N3OS
SMILES
COC1=CC=C(C=C1)/C=N/NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H13N3OS/c1-19-12-8-6-11(7-9-12)10-16-18-15-17-13-4-2-3-5-14(13)20-15/h2-10H,1H3,(H,17,18)/b16-10+
InChIKey
UYABVUDGGULXKZ-MHWRWJLKSA-N
Compound name
N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07794 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.085216 160.5
[M+Na]+ 306.067158 170.7
[M-H]- 282.070664 169.1
[M+NH4]+ 301.111763 178.9
[M+K]+ 322.041098 165.5
[M+H-H2O]+ 266.075200 152.5
[M+HCOO]- 328.076141 184.4
[M+CH3COO]- 342.091791 173.8
[M+Na-2H]- 304.052606 167.0
[M]+ 283.07739142 165.9
[M]- 283.07848858 165.9
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.