CID 9570174

Ici 3349

Structural Information

Molecular Formula
C18H26ClN7
SMILES
CCN(CC)CCNC1=NC(=NC(=C1)C)/N=C(\N)/NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H26ClN7/c1-4-26(5-2)11-10-21-16-12-13(3)22-18(24-16)25-17(20)23-15-8-6-14(19)7-9-15/h6-9,12H,4-5,10-11H2,1-3H3,(H4,20,21,22,23,24,25)
InChIKey
JWBWVGDXXKLUEJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethylamino]-6-methylpyrimidin-2-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19382 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20110 193.5
[M+Na]+ 398.18304 198.3
[M-H]- 374.18654 199.3
[M+NH4]+ 393.22764 203.4
[M+K]+ 414.15698 193.4
[M+H-H2O]+ 358.19108 182.6
[M+HCOO]- 420.19202 214.9
[M+CH3COO]- 434.20767 235.5
[M+Na-2H]- 396.16849 196.8
[M]+ 375.19327 195.6
[M]- 375.19437 195.6
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.