CID 25324046

6-benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Structural Information

Molecular Formula
C14H14ClN3
SMILES
C1CN(CC2=C1N=CN=C2Cl)CC3=CC=CC=C3
InChI
InChI=1S/C14H14ClN3/c15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKey
RPJAAZOTUXKSEV-UHFFFAOYSA-N
Compound name
6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

259.08762 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09490 158.0
[M+Na]+ 282.07684 166.5
[M-H]- 258.08034 160.4
[M+NH4]+ 277.12144 172.2
[M+K]+ 298.05078 159.9
[M+H-H2O]+ 242.08488 147.9
[M+HCOO]- 304.08582 170.3
[M+CH3COO]- 318.10147 168.6
[M+Na-2H]- 280.06229 165.1
[M]+ 259.08707 157.0
[M]- 259.08817 157.0
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