CID 477239

Cuartfaalpmpjs-uhfffaoysa-n

Structural Information

Molecular Formula
C20H29N7
SMILES
CCN(CC)CCNC1=NC(=NC(=C1)C)NC2=NC3=C(N2)C=C(C(=C3)C)C
InChI
InChI=1S/C20H29N7/c1-6-27(7-2)9-8-21-18-12-15(5)22-19(25-18)26-20-23-16-10-13(3)14(4)11-17(16)24-20/h10-12H,6-9H2,1-5H3,(H3,21,22,23,24,25,26)
InChIKey
CUARTFAALPMPJS-UHFFFAOYSA-N
Compound name
4-N-[2-(diethylamino)ethyl]-2-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.24844 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25572 192.7
[M+Na]+ 390.23766 200.7
[M-H]- 366.24116 196.2
[M+NH4]+ 385.28226 202.4
[M+K]+ 406.21160 194.3
[M+H-H2O]+ 350.24570 181.6
[M+HCOO]- 412.24664 213.8
[M+CH3COO]- 426.26229 229.6
[M+Na-2H]- 388.22311 196.2
[M]+ 367.24789 196.4
[M]- 367.24899 196.4
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.