CID 477237

Dhxcivqislptmc-uhfffaoysa-n

Structural Information

Molecular Formula
C19H24F3N7
SMILES
CCN(CC)CCNC1=NC(=NC(=C1)C)NC2=NC3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H24F3N7/c1-4-29(5-2)9-8-23-16-10-12(3)24-17(27-16)28-18-25-14-7-6-13(19(20,21)22)11-15(14)26-18/h6-7,10-11H,4-5,8-9H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKey
DHXCIVQISLPTMC-UHFFFAOYSA-N
Compound name
4-N-[2-(diethylamino)ethyl]-6-methyl-2-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20453 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21181 195.7
[M+Na]+ 430.19375 203.7
[M-H]- 406.19725 195.2
[M+NH4]+ 425.23835 203.4
[M+K]+ 446.16769 196.7
[M+H-H2O]+ 390.20179 182.4
[M+HCOO]- 452.20273 212.3
[M+CH3COO]- 466.21838 233.1
[M+Na-2H]- 428.17920 199.8
[M]+ 407.20398 194.9
[M]- 407.20508 194.9
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.