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]+ 242.09578 152.5
[M+Na]+ 264.07772 159.2
[M-H]- 240.08122 158.6
[M+NH4]+ 259.12232 170.6
[M+K]+ 280.05166 157.7
[M+H-H2O]+ 224.08576 145.2
[M+HCOO]- 286.08670 173.8
[M+CH3COO]- 300.10235 200.9
[M+Na-2H]- 262.06317 155.8
[M]+ 241.08795 154.4
[M]- 241.08905 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.