CID 267683

1854-39-3

Structural Information

Molecular Formula
C15H16N4O
SMILES
CC1C2=C(CN1C(=O)C3=CC=CC=C3)C(=NC(=N2)C)N
InChI
InChI=1S/C15H16N4O/c1-9-13-12(14(16)18-10(2)17-13)8-19(9)15(20)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKey
NUEZJRJKNHKWPP-UHFFFAOYSA-N
Compound name
(4-amino-2,7-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13242 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 163.7
[M+Na]+ 291.12164 173.1
[M-H]- 267.12514 167.7
[M+NH4]+ 286.16624 178.8
[M+K]+ 307.09558 168.1
[M+H-H2O]+ 251.12968 154.6
[M+HCOO]- 313.13062 182.8
[M+CH3COO]- 327.14627 175.0
[M+Na-2H]- 289.10709 166.0
[M]+ 268.13187 162.9
[M]- 268.13297 162.9
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

No patent data available for this compound.