CID 381374

Nsc667914

Structural Information

Molecular Formula
C24H24N2O6S
SMILES
CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC=CC=C5O
InChI
InChI=1S/C24H24N2O6S/c1-14-7-9-16(10-8-14)33(28,29)26-25-24-15(2)23(17-5-3-4-6-19(17)27)18-11-21-22(31-13-30-21)12-20(18)32-24/h3-12,15,23-27H,13H2,1-2H3
InChIKey
PLWJNYSOUXYBJD-UHFFFAOYSA-N
Compound name
N'-[8-(2-hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.1355 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.14278 207.0
[M+Na]+ 491.12472 213.8
[M-H]- 467.12822 219.1
[M+NH4]+ 486.16932 214.1
[M+K]+ 507.09866 212.6
[M+H-H2O]+ 451.13276 199.9
[M+HCOO]- 513.13370 218.3
[M+CH3COO]- 527.14935 215.7
[M+Na-2H]- 489.11017 211.6
[M]+ 468.13495 211.4
[M]- 468.13605 211.4
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.