CID 341268

Nsc372950

Structural Information

Molecular Formula
C15H19ClN6
SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=CN(C)C
InChI
InChI=1S/C15H19ClN6/c1-4-11-13(14(17)21-15(18)20-11)9-5-6-10(16)12(7-9)19-8-22(2)3/h5-8H,4H2,1-3H3,(H4,17,18,20,21)
InChIKey
JHYUQAGPICBQOR-UHFFFAOYSA-N
Compound name
N'-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

318.136 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14328 179.1
[M+Na]+ 341.12522 188.2
[M-H]- 317.12872 185.6
[M+NH4]+ 336.16982 192.1
[M+K]+ 357.09916 182.9
[M+H-H2O]+ 301.13326 169.5
[M+HCOO]- 363.13420 200.8
[M+CH3COO]- 377.14985 223.2
[M+Na-2H]- 339.11067 181.6
[M]+ 318.13545 181.2
[M]- 318.13655 181.2
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.