CID 3853961

4-(morpholine-4-sulfonyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C10H15N3O3S/c11-9-2-1-8(7-10(9)12)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,11-12H2
InChIKey
ZYTBMQIKJPRMON-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylsulfonylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0834 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 154.9
[M+Na]+ 280.07262 161.2
[M-H]- 256.07612 159.7
[M+NH4]+ 275.11722 168.2
[M+K]+ 296.04656 158.5
[M+H-H2O]+ 240.08066 147.3
[M+HCOO]- 302.08160 169.2
[M+CH3COO]- 316.09725 193.9
[M+Na-2H]- 278.05807 158.6
[M]+ 257.08285 151.3
[M]- 257.08395 151.3
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.