CID 104278

Tris(4-aminophenyl) thiophosphate

Structural Information

Molecular Formula
C18H18N3O3PS
SMILES
C1=CC(=CC=C1N)OP(=S)(OC2=CC=C(C=C2)N)OC3=CC=C(C=C3)N
InChI
InChI=1S/C18H18N3O3PS/c19-13-1-7-16(8-2-13)22-25(26,23-17-9-3-14(20)4-10-17)24-18-11-5-15(21)6-12-18/h1-12H,19-21H2
InChIKey
MBUAAMOJATXYKR-UHFFFAOYSA-N
Compound name
4-bis(4-aminophenoxy)phosphinothioyloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

387.08066 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.08794 184.5
[M+Na]+ 410.06988 190.0
[M-H]- 386.07338 191.4
[M+NH4]+ 405.11448 194.7
[M+K]+ 426.04382 184.6
[M+H-H2O]+ 370.07792 172.5
[M+HCOO]- 432.07886 209.1
[M+CH3COO]- 446.09451 223.7
[M+Na-2H]- 408.05533 184.6
[M]+ 387.08011 183.9
[M]- 387.08121 183.9
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

patents stripe