CID 2318101

328028-84-8

Structural Information

Molecular Formula
C17H20N2O4S
SMILES
CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C=O
InChI
InChI=1S/C17H20N2O4S/c1-13-10-15(12-20)14(2)19(13)16-4-3-5-17(11-16)24(21,22)18-6-8-23-9-7-18/h3-5,10-12H,6-9H2,1-2H3
InChIKey
VHMOKYXRNWLZBO-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.11438 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12166 180.6
[M+Na]+ 371.10360 189.0
[M-H]- 347.10710 188.9
[M+NH4]+ 366.14820 192.1
[M+K]+ 387.07754 185.6
[M+H-H2O]+ 331.11164 172.7
[M+HCOO]- 393.11258 193.4
[M+CH3COO]- 407.12823 208.2
[M+Na-2H]- 369.08905 180.1
[M]+ 348.11383 183.3
[M]- 348.11493 183.3
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

No patent data available for this compound.