CID 3239884

Gnf-pf-785

Structural Information

Molecular Formula
C14H19N5O2
SMILES
CCOC(=O)C1=CC(=CC=C1)N2C(=NC(=NC2(C)C)N)N
InChI
InChI=1S/C14H19N5O2/c1-4-21-11(20)9-6-5-7-10(8-9)19-13(16)17-12(15)18-14(19,2)3/h5-8H,4H2,1-3H3,(H4,15,16,17,18)
InChIKey
KOIZYLPTQAKUHQ-UHFFFAOYSA-N
Compound name
ethyl 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

289.15387 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16115 169.0
[M+Na]+ 312.14309 177.6
[M-H]- 288.14659 171.7
[M+NH4]+ 307.18769 181.9
[M+K]+ 328.11703 174.0
[M+H-H2O]+ 272.15113 159.9
[M+HCOO]- 334.15207 188.4
[M+CH3COO]- 348.16772 207.3
[M+Na-2H]- 310.12854 172.3
[M]+ 289.15332 168.3
[M]- 289.15442 168.3
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

No patent data available for this compound.