CID 9570364

21062-28-2

Structural Information

Molecular Formula
C19H25Cl2N7
SMILES
CCN1CCCC(C1)NC2=NC(=NC(=C2)C)/N=C(\N)/NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H25Cl2N7/c1-3-28-8-4-5-14(11-28)24-17-9-12(2)23-19(26-17)27-18(22)25-13-6-7-15(20)16(21)10-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H4,22,23,24,25,26,27)
InChIKey
ULEFBGMSKLBBKF-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

421.15485 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.16213 202.9
[M+Na]+ 444.14407 208.3
[M-H]- 420.14757 207.8
[M+NH4]+ 439.18867 209.6
[M+K]+ 460.11801 200.7
[M+H-H2O]+ 404.15211 191.5
[M+HCOO]- 466.15305 212.9
[M+CH3COO]- 480.16870 209.4
[M+Na-2H]- 442.12952 203.4
[M]+ 421.15430 200.9
[M]- 421.15540 200.9
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

patents stripe