CID 6477196

5-[(z)-2-(4-phenylphenyl)prop-1-enyl]furo[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C21H18N4O
SMILES
C/C(=C/C1=COC2=NC(=NC(=C12)N)N)/C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N4O/c1-13(11-17-12-26-20-18(17)19(22)24-21(23)25-20)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-12H,1H3,(H4,22,23,24,25)/b13-11-
InChIKey
BVMXYMREAUXONX-QBFSEMIESA-N
Compound name
5-[(Z)-2-(4-phenylphenyl)prop-1-enyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.14807 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 183.5
[M+Na]+ 365.13729 192.8
[M-H]- 341.14079 192.4
[M+NH4]+ 360.18189 194.5
[M+K]+ 381.11123 186.3
[M+H-H2O]+ 325.14533 173.3
[M+HCOO]- 387.14627 205.3
[M+CH3COO]- 401.16192 194.1
[M+Na-2H]- 363.12274 187.0
[M]+ 342.14752 183.5
[M]- 342.14862 183.5
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.