CID 100293

6h-pyrrolo(3,4-d)pyrimidine, 2,4,5-trimethyl-7-phenyl-

Structural Information

Molecular Formula
C15H15N3
SMILES
CC1=C2C(=NC(=NC2=C(N1)C3=CC=CC=C3)C)C
InChI
InChI=1S/C15H15N3/c1-9-13-10(2)17-14(12-7-5-4-6-8-12)15(13)18-11(3)16-9/h4-8,17H,1-3H3
InChIKey
ZTTHWMSNQZMTTG-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.1266 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.133876 155.1
[M+Na]+ 260.115818 167.2
[M-H]- 236.119324 158.8
[M+NH4]+ 255.160423 171.7
[M+K]+ 276.089758 160.6
[M+H-H2O]+ 220.123860 146.5
[M+HCOO]- 282.124801 175.7
[M+CH3COO]- 296.140451 167.8
[M+Na-2H]- 258.101266 160.4
[M]+ 237.12605142 156.8
[M]- 237.12714858 156.8
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