CID 3040080

B 8270

Structural Information

Molecular Formula
C20H27ClN4O
SMILES
CCCC(CCC)C(=O)NC1=NC(=C(C(=N1)N)C2=CC=C(C=C2)Cl)CC
InChI
InChI=1S/C20H27ClN4O/c1-4-7-14(8-5-2)19(26)25-20-23-16(6-3)17(18(22)24-20)13-9-11-15(21)12-10-13/h9-12,14H,4-8H2,1-3H3,(H3,22,23,24,25,26)
InChIKey
GCLIEWSEPWRKFR-UHFFFAOYSA-N
Compound name
N-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.18735 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19463 193.9
[M+Na]+ 397.17657 200.3
[M-H]- 373.18007 197.1
[M+NH4]+ 392.22117 203.7
[M+K]+ 413.15051 193.6
[M+H-H2O]+ 357.18461 184.4
[M+HCOO]- 419.18555 208.8
[M+CH3COO]- 433.20120 225.2
[M+Na-2H]- 395.16202 192.9
[M]+ 374.18680 196.9
[M]- 374.18790 196.9
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