CID 65756

27031-08-9

Structural Information

Molecular Formula
C12H15N5O3S
SMILES
CC1=C(OC(=N1)NC(=NS(=O)(=O)C2=CC=C(C=C2)N)N)C
InChI
InChI=1S/C12H15N5O3S/c1-7-8(2)20-12(15-7)16-11(14)17-21(18,19)10-5-3-9(13)4-6-10/h3-6H,13H2,1-2H3,(H3,14,15,16,17)
InChIKey
IJZUQDQOAFUFJY-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfonyl-1-(4,5-dimethyl-1,3-oxazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1982
Patents

309.08957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09685 170.0
[M+Na]+ 332.07879 177.9
[M-H]- 308.08229 177.6
[M+NH4]+ 327.12339 183.5
[M+K]+ 348.05273 175.2
[M+H-H2O]+ 292.08683 161.8
[M+HCOO]- 354.08777 191.1
[M+CH3COO]- 368.10342 211.8
[M+Na-2H]- 330.06424 173.1
[M]+ 309.08902 171.3
[M]- 309.09012 171.3
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

patents stripe