CID 118797974

[(e)-[amino-[(e)-[amino(anilino)methylidene]amino]methylidene]amino]phosphonic acid

Structural Information

Molecular Formula
C8H12N5O3P
SMILES
C1=CC=C(C=C1)N/C(=N/C(=N/P(=O)(O)O)/N)/N
InChI
InChI=1S/C8H12N5O3P/c9-7(11-6-4-2-1-3-5-6)12-8(10)13-17(14,15)16/h1-5H,(H7,9,10,11,12,13,14,15,16)
InChIKey
JSUBWSGKASGSOD-UHFFFAOYSA-N
Compound name
[(E)-[amino-[(E)-[amino(anilino)methylidene]amino]methylidene]amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.06778 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07506 152.5
[M+Na]+ 280.05700 155.8
[M-H]- 256.06050 153.9
[M+NH4]+ 275.10160 167.1
[M+K]+ 296.03094 155.3
[M+H-H2O]+ 240.06504 142.6
[M+HCOO]- 302.06598 183.6
[M+CH3COO]- 316.08163 203.3
[M+Na-2H]- 278.04245 155.5
[M]+ 257.06723 147.2
[M]- 257.06833 147.2
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.