CID 68916

Epiroprim

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CCOC1=CC(=CC(=C1N2C=CC=C2)OCC)CC3=CN=C(N=C3N)N
InChI
InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)
InChIKey
NMARPFMJVCXSAV-UHFFFAOYSA-N
Compound name
5-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

947
Patents

353.18518 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 186.7
[M+Na]+ 376.17440 199.5
[M+NH4]+ 371.21900 192.3
[M+K]+ 392.14834 194.8
[M-H]- 352.17790 191.5
[M+Na-2H]- 374.15985 194.3
[M]+ 353.18463 189.7
[M]- 353.18573 189.7
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