CID 16076218

Chembl241505

Structural Information

Molecular Formula
C18H23ClN4O2
SMILES
CCC1=C(C(=NC=N1)N(C)C(C)C2=CC=C(C=C2)OC(=O)N(C)C)Cl
InChI
InChI=1S/C18H23ClN4O2/c1-6-15-16(19)17(21-11-20-15)23(5)12(2)13-7-9-14(10-8-13)25-18(24)22(3)4/h7-12H,6H2,1-5H3
InChIKey
SNFHGRBROXQPOD-UHFFFAOYSA-N
Compound name
[4-[1-[(5-chloro-6-ethylpyrimidin-4-yl)-methylamino]ethyl]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.15094 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15822 185.7
[M+Na]+ 385.14016 192.4
[M-H]- 361.14366 192.5
[M+NH4]+ 380.18476 197.3
[M+K]+ 401.11410 189.8
[M+H-H2O]+ 345.14820 175.9
[M+HCOO]- 407.14914 203.3
[M+CH3COO]- 421.16479 226.7
[M+Na-2H]- 383.12561 186.5
[M]+ 362.15039 192.6
[M]- 362.15149 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.