CID 9839765

2-ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)benzaldehyde

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C=O
InChI
InChI=1S/C14H20N2O4S/c1-3-20-14-5-4-13(10-12(14)11-17)21(18,19)16-8-6-15(2)7-9-16/h4-5,10-11H,3,6-9H2,1-2H3
InChIKey
PZZJTXYBHOEFPL-UHFFFAOYSA-N
Compound name
2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

312.11438 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 170.7
[M+Na]+ 335.10360 177.8
[M-H]- 311.10710 174.4
[M+NH4]+ 330.14820 183.1
[M+K]+ 351.07754 174.2
[M+H-H2O]+ 295.11164 162.5
[M+HCOO]- 357.11258 182.9
[M+CH3COO]- 371.12823 202.0
[M+Na-2H]- 333.08905 172.0
[M]+ 312.11383 173.0
[M]- 312.11493 173.0
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