CID 3042308

6h-pyrrolo(3,4-d)pyrimidin-2-amine, 4,5-dimethyl-7-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C14H14N4
SMILES
CC1=C2C(=NC(=NC2=C(N1)C3=CC=CC=C3)N)C
InChI
InChI=1S/C14H14N4/c1-8-11-9(2)17-14(15)18-13(11)12(16-8)10-6-4-3-5-7-10/h3-7,16H,1-2H3,(H2,15,18)
InChIKey
DPKRBVSNBNLQNG-UHFFFAOYSA-N
Compound name
4,5-dimethyl-7-phenyl-6H-pyrrolo[3,4-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.12184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.129116 154.7
[M+Na]+ 261.111058 166.4
[M-H]- 237.114564 158.2
[M+NH4]+ 256.155663 170.7
[M+K]+ 277.084998 159.7
[M+H-H2O]+ 221.119100 146.2
[M+HCOO]- 283.120041 176.1
[M+CH3COO]- 297.135691 167.1
[M+Na-2H]- 259.096506 160.2
[M]+ 238.12129142 154.6
[M]- 238.12238858 154.6
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