CID 5748926

Brn 5773647

Structural Information

Molecular Formula
C20H19N5O2
SMILES
COC1=CC=C(C=C1)NC2=NC(=NC3=C2NC=C3)NC4=CC=C(C=C4)OC
InChI
InChI=1S/C20H19N5O2/c1-26-15-7-3-13(4-8-15)22-19-18-17(11-12-21-18)24-20(25-19)23-14-5-9-16(27-2)10-6-14/h3-12,21H,1-2H3,(H2,22,23,24,25)
InChIKey
JMWWRNUFCKOKAS-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

361.15387 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16115 186.1
[M+Na]+ 384.14309 201.3
[M+NH4]+ 379.18769 192.8
[M+K]+ 400.11703 195.1
[M-H]- 360.14659 192.1
[M+Na-2H]- 382.12854 196.1
[M]+ 361.15332 189.9
[M]- 361.15442 189.9
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.