CID 451845

143467-60-1

Structural Information

Molecular Formula
C17H22N4O4
SMILES
CN(C)C1=NC(=NC(=C1)C(=N)C2=CC(=C(C(=C2)OC)OC)OC)OC
InChI
InChI=1S/C17H22N4O4/c1-21(2)14-9-11(19-17(20-14)25-6)15(18)10-7-12(22-3)16(24-5)13(8-10)23-4/h7-9,18H,1-6H3
InChIKey
INNKKHRVKBBBLG-UHFFFAOYSA-N
Compound name
2-methoxy-N,N-dimethyl-6-(3,4,5-trimethoxybenzenecarboximidoyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1641 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17138 181.7
[M+Na]+ 369.15332 189.4
[M-H]- 345.15682 188.0
[M+NH4]+ 364.19792 192.7
[M+K]+ 385.12726 188.3
[M+H-H2O]+ 329.16136 171.4
[M+HCOO]- 391.16230 204.9
[M+CH3COO]- 405.17795 224.2
[M+Na-2H]- 367.13877 183.9
[M]+ 346.16355 189.0
[M]- 346.16465 189.0
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.