CID 477231

Buagzazdvnimsy-uhfffaoysa-n

Structural Information

Molecular Formula
C18H21Cl4N7
SMILES
CCN(CC)CCNC1=NC(=NC(=C1)C)NC2=NC3=C(N2)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H21Cl4N7/c1-4-29(5-2)7-6-23-10-8-9(3)24-17(25-10)28-18-26-15-13(21)11(19)12(20)14(22)16(15)27-18/h8H,4-7H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKey
BUAGZAZDVNIMSY-UHFFFAOYSA-N
Compound name
4-N-[2-(diethylamino)ethyl]-6-methyl-2-N-(4,5,6,7-tetrachloro-1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.06125 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.06853 208.0
[M+Na]+ 498.05047 217.8
[M-H]- 474.05397 207.5
[M+NH4]+ 493.09507 214.9
[M+K]+ 514.02441 210.2
[M+H-H2O]+ 458.05851 198.2
[M+HCOO]- 520.05945 208.3
[M+CH3COO]- 534.07510 213.9
[M+Na-2H]- 496.03592 206.6
[M]+ 475.06070 213.6
[M]- 475.06180 213.6
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.