CID 9571574

Nsc683749

Structural Information

Molecular Formula
C19H18N4O5S
SMILES
CN1C(=O)/C(=C/C2=CC=C(C=C2)S(=O)(=O)N/N=C/C3=CC=C(C=C3)OC)/NC1=O
InChI
InChI=1S/C19H18N4O5S/c1-23-18(24)17(21-19(23)25)11-13-5-9-16(10-6-13)29(26,27)22-20-12-14-3-7-15(28-2)8-4-14/h3-12,22H,1-2H3,(H,21,25)/b17-11-,20-12+
InChIKey
SVOIJGOIZUSFFW-XAJBPTSZSA-N
Compound name
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.0998 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.10708 196.7
[M+Na]+ 437.08902 204.2
[M-H]- 413.09252 204.4
[M+NH4]+ 432.13362 205.8
[M+K]+ 453.06296 198.0
[M+H-H2O]+ 397.09706 187.6
[M+HCOO]- 459.09800 213.4
[M+CH3COO]- 473.11365 224.1
[M+Na-2H]- 435.07447 197.1
[M]+ 414.09925 198.8
[M]- 414.10035 198.8
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.