CID 122164366

2059936-24-0

Structural Information

Molecular Formula
C10H15N3O2S
SMILES
CN(C)S(=NC(=O)C1=CC=C(C=C1)N)(=O)C
InChI
InChI=1S/C10H15N3O2S/c1-13(2)16(3,15)12-10(14)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3
InChIKey
FCKJIPBWPMFHKG-UHFFFAOYSA-N
Compound name
4-amino-N-(dimethylamino-methyl-oxo-lambda6-sulfanylidene)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.095776 152.5
[M+Na]+ 264.077718 159.2
[M-H]- 240.081224 158.6
[M+NH4]+ 259.122323 170.6
[M+K]+ 280.051658 157.7
[M+H-H2O]+ 224.085760 145.2
[M+HCOO]- 286.086701 173.8
[M+CH3COO]- 300.102351 200.9
[M+Na-2H]- 262.063166 155.8
[M]+ 241.08795142 154.4
[M]- 241.08904858 154.4
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.