CID 50107

Proglinazine-ethyl

Structural Information

Molecular Formula
C10H16ClN5O2
SMILES
CCOC(=O)CNC1=NC(=NC(=N1)Cl)NC(C)C
InChI
InChI=1S/C10H16ClN5O2/c1-4-18-7(17)5-12-9-14-8(11)15-10(16-9)13-6(2)3/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
QQADVTSTCZBBOE-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1251
Patents

273.09924 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10652 160.5
[M+Na]+ 296.08846 168.0
[M-H]- 272.09196 160.2
[M+NH4]+ 291.13306 173.2
[M+K]+ 312.06240 164.9
[M+H-H2O]+ 256.09650 152.1
[M+HCOO]- 318.09744 176.9
[M+CH3COO]- 332.11309 202.8
[M+Na-2H]- 294.07391 164.9
[M]+ 273.09869 164.3
[M]- 273.09979 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe