CID 477204

Giiyyvsigsvcri-uhfffaoysa-n

Structural Information

Molecular Formula
C19H25Cl2N7
SMILES
CCN(CC)CC(C)NC1=NC(=NC(=C1)C)NC2=NC3=CC(=C(C=C3N2)Cl)Cl
InChI
InChI=1S/C19H25Cl2N7/c1-5-28(6-2)10-12(4)22-17-7-11(3)23-18(26-17)27-19-24-15-8-13(20)14(21)9-16(15)25-19/h7-9,12H,5-6,10H2,1-4H3,(H3,22,23,24,25,26,27)
InChIKey
GIIYYVSIGSVCRI-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[1-(diethylamino)propan-2-yl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.15485 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.16213 200.3
[M+Na]+ 444.14407 209.0
[M-H]- 420.14757 202.7
[M+NH4]+ 439.18867 209.0
[M+K]+ 460.11801 201.4
[M+H-H2O]+ 404.15211 189.9
[M+HCOO]- 466.15305 210.8
[M+CH3COO]- 480.16870 208.1
[M+Na-2H]- 442.12952 201.8
[M]+ 421.15430 206.2
[M]- 421.15540 206.2
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.