CID 3845850

3,4-diamino-n,n-diethyl-benzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

243.10414 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11142 152.8
[M+Na]+ 266.09336 159.7
[M-H]- 242.09686 157.0
[M+NH4]+ 261.13796 170.1
[M+K]+ 282.06730 157.0
[M+H-H2O]+ 226.10140 145.8
[M+HCOO]- 288.10234 172.8
[M+CH3COO]- 302.11799 200.4
[M+Na-2H]- 264.07881 155.1
[M]+ 243.10359 153.6
[M]- 243.10469 153.6
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