CID 100294

6h-pyrrolo(3,4-d)pyrimidine, 2,5-dimethyl-4,7-diphenyl-

Structural Information

Molecular Formula
C20H17N3
SMILES
CC1=C2C(=C(N1)C3=CC=CC=C3)N=C(N=C2C4=CC=CC=C4)C
InChI
InChI=1S/C20H17N3/c1-13-17-18(15-9-5-3-6-10-15)22-14(2)23-20(17)19(21-13)16-11-7-4-8-12-16/h3-12,21H,1-2H3
InChIKey
DKXOFAXYUKRERR-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4,7-diphenyl-6H-pyrrolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.14224 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14952 172.3
[M+Na]+ 322.13146 191.2
[M+NH4]+ 317.17606 181.4
[M+K]+ 338.10540 182.9
[M-H]- 298.13496 178.8
[M+Na-2H]- 320.11691 183.9
[M]+ 299.14169 177.2
[M]- 299.14279 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe