CID 381386

Nsc667926

Structural Information

Molecular Formula
C25H26N2O7S
SMILES
CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=C(C(=CC=C5)OC)O
InChI
InChI=1S/C25H26N2O7S/c1-14-7-9-16(10-8-14)35(29,30)27-26-25-15(2)23(17-5-4-6-19(31-3)24(17)28)18-11-21-22(33-13-32-21)12-20(18)34-25/h4-12,15,23,25-28H,13H2,1-3H3
InChIKey
GZSNZQVDGGAGBN-UHFFFAOYSA-N
Compound name
N'-[8-(2-hydroxy-3-methoxyphenyl)-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

498.14606 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.15334 215.0
[M+Na]+ 521.13528 221.5
[M-H]- 497.13878 227.2
[M+NH4]+ 516.17988 220.9
[M+K]+ 537.10922 221.2
[M+H-H2O]+ 481.14332 207.6
[M+HCOO]- 543.14426 225.9
[M+CH3COO]- 557.15991 223.3
[M+Na-2H]- 519.12073 219.0
[M]+ 498.14551 221.4
[M]- 498.14661 221.4
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.