CID 97198

16221-22-0

Structural Information

Molecular Formula
C21H24N9O4P
SMILES
C1=CC=C(C=C1)NNC(=O)NP(=O)(NC(=O)NNC2=CC=CC=C2)NC(=O)NNC3=CC=CC=C3
InChI
InChI=1S/C21H24N9O4P/c31-19(25-22-16-10-4-1-5-11-16)28-35(34,29-20(32)26-23-17-12-6-2-7-13-17)30-21(33)27-24-18-14-8-3-9-15-18/h1-15,22-24H,(H6,25,26,27,28,29,30,31,32,33,34)
InChIKey
XIDNUMUTPZZBDI-UHFFFAOYSA-N
Compound name
1-anilino-3-bis(anilinocarbamoylamino)phosphorylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.16888 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.17616 212.5
[M+Na]+ 520.15810 214.1
[M+NH4]+ 515.20270 213.6
[M+K]+ 536.13204 212.0
[M-H]- 496.16160 218.2
[M+Na-2H]- 518.14355 218.8
[M]+ 497.16833 213.0
[M]- 497.16943 213.0
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.