CID 16107790

911196-99-1

Structural Information

Molecular Formula
C14H17N5O2S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN=[N+]=[N-]
InChI
InChI=1S/C14H17N5O2S/c1-19(2)13-7-3-6-12-11(13)5-4-8-14(12)22(20,21)17-10-9-16-18-15/h3-8,17H,9-10H2,1-2H3
InChIKey
HVMWRNDGKJZUGJ-UHFFFAOYSA-N
Compound name
N-(2-azidoethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

319.1103 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11758 166.1
[M+Na]+ 342.09952 171.4
[M-H]- 318.10302 173.9
[M+NH4]+ 337.14412 181.6
[M+K]+ 358.07346 163.7
[M+H-H2O]+ 302.10756 161.8
[M+HCOO]- 364.10850 191.3
[M+CH3COO]- 378.12415 215.5
[M+Na-2H]- 340.08497 176.7
[M]+ 319.10975 167.2
[M]- 319.11085 167.2
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