CID 58278

Formamidine, n'-4-(4h-1-benzothiopyranyl)-n,n-dimethyl-

Structural Information

Molecular Formula
C12H14N2S
SMILES
CN(C)C=NC1C=CSC2=CC=CC=C12
InChI
InChI=1S/C12H14N2S/c1-14(2)9-13-11-7-8-15-12-6-4-3-5-10(11)12/h3-9,11H,1-2H3
InChIKey
FMHAVXBMZHXZLJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-(4H-thiochromen-4-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08777 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 145.0
[M+Na]+ 241.07699 152.0
[M-H]- 217.08049 152.0
[M+NH4]+ 236.12159 165.9
[M+K]+ 257.05093 149.4
[M+H-H2O]+ 201.08503 138.0
[M+HCOO]- 263.08597 166.0
[M+CH3COO]- 277.10162 197.2
[M+Na-2H]- 239.06244 151.0
[M]+ 218.08722 146.9
[M]- 218.08832 146.9
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.