CID 112611

63149-07-5

Structural Information

Molecular Formula
C23H15NO4S
SMILES
CN1C2=C(C=CC3=CC=CC=C32)SC1=C(C(=O)C4=CC=CO4)C(=O)C5=CC=CO5
InChI
InChI=1S/C23H15NO4S/c1-24-20-15-7-3-2-6-14(15)10-11-18(20)29-23(24)19(21(25)16-8-4-12-27-16)22(26)17-9-5-13-28-17/h2-13H,1H3
InChIKey
SGMODQNVAQABMZ-UHFFFAOYSA-N
Compound name
1,3-bis(furan-2-yl)-2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

64
Patents

401.07217 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.07945 188.8
[M+Na]+ 424.06139 202.0
[M+NH4]+ 419.10599 196.6
[M+K]+ 440.03533 199.8
[M-H]- 400.06489 196.0
[M+Na-2H]- 422.04684 194.0
[M]+ 401.07162 193.2
[M]- 401.07272 193.2
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