CID 490578

5-[(2,5-diethoxy-4-pyrrol-1-yl-phenyl)methyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H23N5O2
SMILES
CCOC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OCC)N3C=CC=C3
InChI
InChI=1S/C19H23N5O2/c1-3-25-16-11-15(24-7-5-6-8-24)17(26-4-2)10-13(16)9-14-12-22-19(21)23-18(14)20/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)
InChIKey
AUJALSRSGLLRNP-UHFFFAOYSA-N
Compound name
5-[(2,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.18518 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 185.3
[M+Na]+ 376.17440 193.4
[M-H]- 352.17790 191.2
[M+NH4]+ 371.21900 195.1
[M+K]+ 392.14834 187.7
[M+H-H2O]+ 336.18244 174.1
[M+HCOO]- 398.18338 207.2
[M+CH3COO]- 412.19903 219.7
[M+Na-2H]- 374.15985 186.1
[M]+ 353.18463 187.3
[M]- 353.18573 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

No patent data available for this compound.