CID 362274

Nsc625885

Structural Information

Molecular Formula
C26H22N2O6S
SMILES
COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC
InChI
InChI=1S/C26H22N2O6S/c1-32-17-8-4-15(5-9-17)22(23(29)16-6-10-18(33-2)11-7-16)24(30)25(31)28-26-27-20-13-12-19(34-3)14-21(20)35-26/h4-14,22H,1-3H3,(H,27,28,31)
InChIKey
WUQJMVLOYYCXAM-UHFFFAOYSA-N
Compound name
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.11984 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.12712 215.9
[M+Na]+ 513.10906 221.3
[M-H]- 489.11256 225.6
[M+NH4]+ 508.15366 223.6
[M+K]+ 529.08300 218.2
[M+H-H2O]+ 473.11710 206.2
[M+HCOO]- 535.11804 231.5
[M+CH3COO]- 549.13369 239.7
[M+Na-2H]- 511.09451 214.1
[M]+ 490.11929 224.9
[M]- 490.12039 224.9
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.