CID 3015561

31404-59-8

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
CC(=O)N1CCC2=C(C1)C=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C11H14N2O3S/c1-8(14)13-5-4-9-2-3-11(17(12,15)16)6-10(9)7-13/h2-3,6H,4-5,7H2,1H3,(H2,12,15,16)
InChIKey
XYVQFXSDLNCVQQ-UHFFFAOYSA-N
Compound name
2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

254.07251 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07979 153.4
[M+Na]+ 277.06173 161.0
[M-H]- 253.06523 155.9
[M+NH4]+ 272.10633 170.1
[M+K]+ 293.03567 157.6
[M+H-H2O]+ 237.06977 147.3
[M+HCOO]- 299.07071 166.8
[M+CH3COO]- 313.08636 192.9
[M+Na-2H]- 275.04718 157.2
[M]+ 254.07196 152.9
[M]- 254.07306 152.9
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