CID 12134997

Hmn-176

Structural Information

Molecular Formula
C20H18N2O4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=CC=C\C2=C/C=C3C=CN(C=C3)O
InChI
InChI=1S/C20H18N2O4S/c1-26-18-8-10-19(11-9-18)27(24,25)21-20-5-3-2-4-17(20)7-6-16-12-14-22(23)15-13-16/h2-15,23H,1H3/b17-7+,21-20+
InChIKey
MYEJOKLXXLVMPR-STNHEDLKSA-N
Compound name
(NE)-N-[(6E)-6-[2-(1-hydroxypyridin-4-ylidene)ethylidene]cyclohexa-2,4-dien-1-ylidene]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

382.09872 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10600 188.0
[M+Na]+ 405.08794 200.7
[M+NH4]+ 400.13254 193.7
[M+K]+ 421.06188 191.7
[M-H]- 381.09144 192.2
[M+Na-2H]- 403.07339 196.3
[M]+ 382.09817 191.3
[M]- 382.09927 191.3
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