CID 135743577

Sp2509

Structural Information

Molecular Formula
C19H20ClN3O5S
SMILES
C/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)/C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
InChIKey
NKUDGJUBIVEDTF-FYJGNVAPSA-N
Compound name
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

61
Patents

437.0812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.08848 197.8
[M+Na]+ 460.07042 202.4
[M-H]- 436.07392 206.2
[M+NH4]+ 455.11502 204.5
[M+K]+ 476.04436 198.5
[M+H-H2O]+ 420.07846 189.1
[M+HCOO]- 482.07940 206.1
[M+CH3COO]- 496.09505 226.5
[M+Na-2H]- 458.05587 199.6
[M]+ 437.08065 199.7
[M]- 437.08175 199.7
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