CID 4961973

852217-77-7

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
CN(C)C1=C(C=C(C=C1)S(=O)(=O)N(C)C)N
InChI
InChI=1S/C10H17N3O2S/c1-12(2)10-6-5-8(7-9(10)11)16(14,15)13(3)4/h5-7H,11H2,1-4H3
InChIKey
JGPAFEUKZORYQH-UHFFFAOYSA-N
Compound name
3-amino-4-(dimethylamino)-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10414 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11142 152.6
[M+Na]+ 266.09336 159.7
[M-H]- 242.09686 158.9
[M+NH4]+ 261.13796 170.9
[M+K]+ 282.06730 158.8
[M+H-H2O]+ 226.10140 145.5
[M+HCOO]- 288.10234 173.7
[M+CH3COO]- 302.11799 204.3
[M+Na-2H]- 264.07881 155.3
[M]+ 243.10359 155.7
[M]- 243.10469 155.7
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.