CID 3074605

Piperazine, 1-(2,6-diamino-4-pyrimidinyl)-4-((2-naphthalenyloxy)acetyl)-

Structural Information

Molecular Formula
C20H22N6O2
SMILES
C1CN(CCN1C2=NC(=NC(=C2)N)N)C(=O)COC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C20H22N6O2/c21-17-12-18(24-20(22)23-17)25-7-9-26(10-8-25)19(27)13-28-16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11-12H,7-10,13H2,(H4,21,22,23,24)
InChIKey
VEZAXXNZQISGSM-UHFFFAOYSA-N
Compound name
1-[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.18042 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.18770 190.8
[M+Na]+ 401.16964 203.7
[M+NH4]+ 396.21424 196.3
[M+K]+ 417.14358 197.2
[M-H]- 377.17314 195.7
[M+Na-2H]- 399.15509 198.0
[M]+ 378.17987 193.7
[M]- 378.18097 193.7
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.