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

1
Patents

237.1266 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 155.1
[M+Na]+ 260.11582 167.2
[M-H]- 236.11932 158.8
[M+NH4]+ 255.16042 171.7
[M+K]+ 276.08976 160.6
[M+H-H2O]+ 220.12386 146.5
[M+HCOO]- 282.12480 175.7
[M+CH3COO]- 296.14045 167.8
[M+Na-2H]- 258.10127 160.4
[M]+ 237.12605 156.8
[M]- 237.12715 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