CID 412670

Nsc40850

Structural Information

Molecular Formula
C11H14N3O2PS
SMILES
CCOP(=O)(C1=CC=C(C=C1)N)NC2=NC=CS2
InChI
InChI=1S/C11H14N3O2PS/c1-2-16-17(15,14-11-13-7-8-18-11)10-5-3-9(12)4-6-10/h3-8H,2,12H2,1H3,(H,13,14,15)
InChIKey
XLILBTJZGWFOOV-UHFFFAOYSA-N
Compound name
N-[(4-aminophenyl)-ethoxyphosphoryl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.05444 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06172 158.7
[M+Na]+ 306.04366 165.5
[M-H]- 282.04716 162.8
[M+NH4]+ 301.08826 174.9
[M+K]+ 322.01760 162.1
[M+H-H2O]+ 266.05170 148.5
[M+HCOO]- 328.05264 184.2
[M+CH3COO]- 342.06829 200.3
[M+Na-2H]- 304.02911 159.6
[M]+ 283.05389 160.4
[M]- 283.05499 160.4
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.