CID 4368

Way-151693

Structural Information

Molecular Formula
C21H21N3O5S
SMILES
CC1=C(C(=CC=C1)C(=O)NO)N(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
InChIKey
AINJYWXKBKRQSX-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

26
Patents

427.12018 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12746 198.4
[M+Na]+ 450.10940 203.7
[M-H]- 426.11290 206.8
[M+NH4]+ 445.15400 205.8
[M+K]+ 466.08334 199.7
[M+H-H2O]+ 410.11744 188.0
[M+HCOO]- 472.11838 215.1
[M+CH3COO]- 486.13403 228.7
[M+Na-2H]- 448.09485 201.7
[M]+ 427.11963 202.6
[M]- 427.12073 202.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe