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]+ 284.08522 160.5
[M+Na]+ 306.06716 170.7
[M-H]- 282.07066 169.1
[M+NH4]+ 301.11176 178.9
[M+K]+ 322.04110 165.5
[M+H-H2O]+ 266.07520 152.5
[M+HCOO]- 328.07614 184.4
[M+CH3COO]- 342.09179 173.8
[M+Na-2H]- 304.05261 167.0
[M]+ 283.07739 165.9
[M]- 283.07849 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.