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 182.0
[M+Na]+ 384.14309 190.6
[M-H]- 360.14659 188.6
[M+NH4]+ 379.18769 191.8
[M+K]+ 400.11703 183.8
[M+H-H2O]+ 344.15113 170.8
[M+HCOO]- 406.15207 204.4
[M+CH3COO]- 420.16772 192.0
[M+Na-2H]- 382.12854 188.9
[M]+ 361.15332 184.3
[M]- 361.15442 184.3
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.