CID 65450

Tetroxoprim

Structural Information

Molecular Formula
C16H22N4O4
SMILES
COCCOC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
InChIKey
WSWJIZXMAUYHOE-UHFFFAOYSA-N
Compound name
5-[[3,5-dimethoxy-4-(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

52
References

4215
Patents

334.1641 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17138 179.3
[M+Na]+ 357.15332 187.3
[M-H]- 333.15682 183.1
[M+NH4]+ 352.19792 189.7
[M+K]+ 373.12726 184.3
[M+H-H2O]+ 317.16136 169.0
[M+HCOO]- 379.16230 201.8
[M+CH3COO]- 393.17795 216.8
[M+Na-2H]- 355.13877 181.7
[M]+ 334.16355 184.2
[M]- 334.16465 184.2
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