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
5
Annotation Hits

32
References

980
Patents

353.18518 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.192456 185.3
[M+Na]+ 376.174398 193.4
[M-H]- 352.177904 191.2
[M+NH4]+ 371.219003 195.1
[M+K]+ 392.148338 187.7
[M+H-H2O]+ 336.182440 174.1
[M+HCOO]- 398.183381 207.2
[M+CH3COO]- 412.199031 219.7
[M+Na-2H]- 374.159846 186.1
[M]+ 353.18463142 187.3
[M]- 353.18572858 187.3
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