CID 173980

Dtxsid30886652

Structural Information

Molecular Formula
C19H25N2OS
SMILES
CCN1CCSC1=CC=CC2=[N+](C3=C(O2)C=C(C(=C3)C)C)CC
InChI
InChI=1S/C19H25N2OS/c1-5-20-10-11-23-19(20)9-7-8-18-21(6-2)16-12-14(3)15(4)13-17(16)22-18/h7-9,12-13H,5-6,10-11H2,1-4H3/q+1
InChIKey
MJCPMJUBOXIWLR-UHFFFAOYSA-N
Compound name
3-ethyl-2-[3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-5,6-dimethyl-1,3-benzoxazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16876 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17604 178.1
[M+Na]+ 352.15798 193.1
[M+NH4]+ 347.20258 187.2
[M+K]+ 368.13192 187.1
[M-H]- 328.16148 184.1
[M+Na-2H]- 350.14343 182.3
[M]+ 329.16821 182.8
[M]- 329.16931 182.8
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.