CID 155411211

Kat6-in-1

Structural Information

Molecular Formula
C19H18N4O5S
SMILES
COC1=CC=CC=C1S(=O)(=O)NC2=NOC3=C2C(=CC(=C3)CN4C=CC=N4)OC
InChI
InChI=1S/C19H18N4O5S/c1-26-14-6-3-4-7-17(14)29(24,25)22-19-18-15(27-2)10-13(11-16(18)28-21-19)12-23-9-5-8-20-23/h3-11H,12H2,1-2H3,(H,21,22)
InChIKey
RCBWSTJGOASLEO-UHFFFAOYSA-N
Compound name
2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

414.0998 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.10708 194.6
[M+Na]+ 437.08902 205.7
[M-H]- 413.09252 204.5
[M+NH4]+ 432.13362 204.7
[M+K]+ 453.06296 202.5
[M+H-H2O]+ 397.09706 186.7
[M+HCOO]- 459.09800 212.7
[M+CH3COO]- 473.11365 205.7
[M+Na-2H]- 435.07447 198.0
[M]+ 414.09925 205.0
[M]- 414.10035 205.0
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

patents stripe