CID 9555597

Nsc652139

Structural Information

Molecular Formula
C11H19N6O3P
SMILES
CN(C)P(=O)(/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/N)N(C)C
InChI
InChI=1S/C11H19N6O3P/c1-15(2)21(20,16(3)4)11(12)14-13-9-5-7-10(8-6-9)17(18)19/h5-8,13H,1-4H3,(H2,12,14)
InChIKey
ALDMZBBSWIXUTK-UHFFFAOYSA-N
Compound name
1-[bis(dimethylamino)phosphoryl]-N'-(4-nitroanilino)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13288 163.9
[M+Na]+ 337.11482 166.2
[M-H]- 313.11832 169.9
[M+NH4]+ 332.15942 177.9
[M+K]+ 353.08876 164.3
[M+H-H2O]+ 297.12286 157.8
[M+HCOO]- 359.12380 198.5
[M+CH3COO]- 373.13945 220.4
[M+Na-2H]- 335.10027 169.0
[M]+ 314.12505 162.9
[M]- 314.12615 162.9
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

No patent data available for this compound.