CID 3075346

177027-05-3

Structural Information

Molecular Formula
C18H27N3O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3
InChI
InChI=1S/C18H27N3O4S/c1-25-17-8-7-14(26(19,23)24)11-15(17)18(22)20-12-13-5-4-10-21-9-3-2-6-16(13)21/h7-8,11,13,16H,2-6,9-10,12H2,1H3,(H,20,22)(H2,19,23,24)/t13-,16+/m0/s1
InChIKey
ZFVTYFXGIGVRGN-XJKSGUPXSA-N
Compound name
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.17224 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17952 184.7
[M+Na]+ 404.16146 191.8
[M+NH4]+ 399.20606 190.3
[M+K]+ 420.13540 185.8
[M-H]- 380.16496 186.8
[M+Na-2H]- 402.14691 187.8
[M]+ 381.17169 186.3
[M]- 381.17279 186.3
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.