CID 5277705

Ethyl n-[5-(ethoxycarbonylamino)pyrido[3,4-e][1,2,4]triazin-7-yl]carbamate

Structural Information

Molecular Formula
C12H14N6O4
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)N=NC=N2)NC(=O)OCC
InChI
InChI=1S/C12H14N6O4/c1-3-21-11(19)16-8-5-7-9(13-6-14-18-7)10(15-8)17-12(20)22-4-2/h5-6H,3-4H2,1-2H3,(H2,15,16,17,19,20)
InChIKey
BARWFAYZSQULKP-UHFFFAOYSA-N
Compound name
ethyl N-[5-(ethoxycarbonylamino)pyrido[3,4-e][1,2,4]triazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10767 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11495 167.8
[M+Na]+ 329.09689 175.3
[M-H]- 305.10039 167.4
[M+NH4]+ 324.14149 177.6
[M+K]+ 345.07083 173.1
[M+H-H2O]+ 289.10493 157.7
[M+HCOO]- 351.10587 187.2
[M+CH3COO]- 365.12152 207.4
[M+Na-2H]- 327.08234 175.6
[M]+ 306.10712 171.6
[M]- 306.10822 171.6
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.