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

1
Patents

238.12184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12912 154.7
[M+Na]+ 261.11106 166.4
[M-H]- 237.11456 158.2
[M+NH4]+ 256.15566 170.7
[M+K]+ 277.08500 159.7
[M+H-H2O]+ 221.11910 146.2
[M+HCOO]- 283.12004 176.1
[M+CH3COO]- 297.13569 167.1
[M+Na-2H]- 259.09651 160.2
[M]+ 238.12129 154.6
[M]- 238.12239 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