CID 3078683

122113-34-2

Structural Information

Molecular Formula
C17H18ClN5O
SMILES
CN1C(=O)CC2=CN=C(N=C21)N3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H18ClN5O/c1-21-15(24)10-12-11-19-17(20-16(12)21)23-8-6-22(7-9-23)14-4-2-13(18)3-5-14/h2-5,11H,6-10H2,1H3
InChIKey
ZJARULDSMQSNKM-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.12 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12728 180.9
[M+Na]+ 366.10922 196.6
[M+NH4]+ 361.15382 188.1
[M+K]+ 382.08316 190.1
[M-H]- 342.11272 184.6
[M+Na-2H]- 364.09467 187.7
[M]+ 343.11945 184.4
[M]- 343.12055 184.4
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.