CID 505429

Ethyl n-[4-[bis(ethoxycarbonyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-n-(4-cyanophenyl)carbamate

Structural Information

Molecular Formula
C26H24Cl2N6O6
SMILES
CCOC(=O)N(C1=CC=C(C=C1)C#N)C2=NC(=NC(=N2)CC3=C(C=CC=C3Cl)Cl)N(C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C26H24Cl2N6O6/c1-4-38-24(35)33(17-12-10-16(15-29)11-13-17)22-30-21(14-18-19(27)8-7-9-20(18)28)31-23(32-22)34(25(36)39-5-2)26(37)40-6-3/h7-13H,4-6,14H2,1-3H3
InChIKey
USMNENDFWSSVEY-UHFFFAOYSA-N
Compound name
ethyl N-[4-[bis(ethoxycarbonyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N-(4-cyanophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.11346 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.12074 226.7
[M+Na]+ 609.10268 233.3
[M-H]- 585.10618 231.3
[M+NH4]+ 604.14728 226.7
[M+K]+ 625.07662 229.8
[M+H-H2O]+ 569.11072 208.2
[M+HCOO]- 631.11166 233.4
[M+CH3COO]- 645.12731 263.9
[M+Na-2H]- 607.08813 224.0
[M]+ 586.11291 232.1
[M]- 586.11401 232.1
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.