CID 5709674

Nsc652144

Structural Information

Molecular Formula
C20H26N5O6P
SMILES
CC(C)OP(=O)(/C(=N\NC1=CC=CC=C1[N+](=O)[O-])/NNC(=O)C2=CC=CC=C2)OC(C)C
InChI
InChI=1S/C20H26N5O6P/c1-14(2)30-32(29,31-15(3)4)20(24-22-19(26)16-10-6-5-7-11-16)23-21-17-12-8-9-13-18(17)25(27)28/h5-15,21H,1-4H3,(H,22,26)(H,23,24)
InChIKey
JTMZKACPDIYUAA-UHFFFAOYSA-N
Compound name
N-benzamido-1-di(propan-2-yloxy)phosphoryl-N'-(2-nitroanilino)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.16208 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.16936 200.8
[M+Na]+ 486.15130 199.1
[M-H]- 462.15480 206.5
[M+NH4]+ 481.19590 206.9
[M+K]+ 502.12524 195.9
[M+H-H2O]+ 446.15934 192.8
[M+HCOO]- 508.16028 230.0
[M+CH3COO]- 522.17593 237.8
[M+Na-2H]- 484.13675 204.1
[M]+ 463.16153 200.5
[M]- 463.16263 200.5
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.