CID 71753034

1217201-89-2

Structural Information

Molecular Formula
C11H13N3O3S
SMILES
CN(C)/C=N/S(=O)(=O)CC1=NOC2=CC=CC=C21
InChI
InChI=1S/C11H13N3O3S/c1-14(2)8-12-18(15,16)7-10-9-5-3-4-6-11(9)17-13-10/h3-6,8H,7H2,1-2H3/b12-8+
InChIKey
IIGSDTSFCPJXKF-XYOKQWHBSA-N
Compound name
N'-(1,2-benzoxazol-3-ylmethylsulfonyl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06775 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07503 157.9
[M+Na]+ 290.05697 168.7
[M+NH4]+ 285.10157 164.9
[M+K]+ 306.03091 163.8
[M-H]- 266.06047 160.7
[M+Na-2H]- 288.04242 163.1
[M]+ 267.06720 160.6
[M]- 267.06830 160.6
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

No patent data available for this compound.