CID 5277422

Carbamic acid, [6-[(diphenylmethyl)amino]-5-nitro-2,4-pyridinediyl]bis-, diethyl ester

Structural Information

Molecular Formula
C24H25N5O6
SMILES
CCOC(=O)NC1=CC(=NC(=C1[N+](=O)[O-])NC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC
InChI
InChI=1S/C24H25N5O6/c1-3-34-23(30)25-18-15-19(27-24(31)35-4-2)26-22(21(18)29(32)33)28-20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,20H,3-4H2,1-2H3,(H3,25,26,27,28,30,31)
InChIKey
LEDCNWAYNCGGQG-UHFFFAOYSA-N
Compound name
ethyl N-[2-(benzhydrylamino)-6-(ethoxycarbonylamino)-3-nitropyridin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.18048 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.18776 209.4
[M+Na]+ 502.16970 209.1
[M-H]- 478.17320 216.8
[M+NH4]+ 497.21430 212.3
[M+K]+ 518.14364 202.8
[M+H-H2O]+ 462.17774 201.3
[M+HCOO]- 524.17868 231.9
[M+CH3COO]- 538.19433 236.8
[M+Na-2H]- 500.15515 213.7
[M]+ 479.17993 208.9
[M]- 479.18103 208.9
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.