CID 379264

Nsc663766

Structural Information

Molecular Formula
C18H16N4O3S
SMILES
CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=CC=CC=C3O
InChI
InChI=1S/C18H16N4O3S/c1-13-10-11-19-18(21-13)22-26(24,25)16-8-6-15(7-9-16)20-12-14-4-2-3-5-17(14)23/h2-12,23H,1H3,(H,19,21,22)
InChIKey
YAPHCRLOBQDWOD-UHFFFAOYSA-N
Compound name
4-[(2-hydroxyphenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10158 185.1
[M+Na]+ 391.08352 193.3
[M-H]- 367.08702 192.6
[M+NH4]+ 386.12812 194.1
[M+K]+ 407.05746 186.5
[M+H-H2O]+ 351.09156 174.7
[M+HCOO]- 413.09250 203.2
[M+CH3COO]- 427.10815 216.4
[M+Na-2H]- 389.06897 191.1
[M]+ 368.09375 187.0
[M]- 368.09485 187.0
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.