CID 16132

Sulfasymazine

Structural Information

Molecular Formula
C13H17N5O2S
SMILES
CCC1=NC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)CC
InChI
InChI=1S/C13H17N5O2S/c1-3-11-15-12(4-2)17-13(16-11)18-21(19,20)10-7-5-9(14)6-8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16,17,18)
InChIKey
ZQMQGBHQZZQTJE-UHFFFAOYSA-N
Compound name
4-amino-N-(4,6-diethyl-1,3,5-triazin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1283
Patents

307.1103 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11758 170.7
[M+Na]+ 330.09952 179.7
[M-H]- 306.10302 173.7
[M+NH4]+ 325.14412 181.4
[M+K]+ 346.07346 173.9
[M+H-H2O]+ 290.10756 161.6
[M+HCOO]- 352.10850 186.8
[M+CH3COO]- 366.12415 206.9
[M+Na-2H]- 328.08497 175.2
[M]+ 307.10975 172.5
[M]- 307.11085 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe