CID 380958

Nsc666753

Structural Information

Molecular Formula
C17H26N4O2S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCNCCN
InChI
InChI=1S/C17H26N4O2S/c1-21(2)16-8-3-7-15-14(16)6-4-9-17(15)24(22,23)20-12-5-11-19-13-10-18/h3-4,6-9,19-20H,5,10-13,18H2,1-2H3
InChIKey
MVGLWQWRRGYGPC-UHFFFAOYSA-N
Compound name
N-[3-(2-aminoethylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.17764 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18492 179.1
[M+Na]+ 373.16686 183.3
[M-H]- 349.17036 183.3
[M+NH4]+ 368.21146 192.7
[M+K]+ 389.14080 179.3
[M+H-H2O]+ 333.17490 170.7
[M+HCOO]- 395.17584 198.3
[M+CH3COO]- 409.19149 224.8
[M+Na-2H]- 371.15231 184.0
[M]+ 350.17709 181.7
[M]- 350.17819 181.7
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.