CID 3065704

2-pyrimidinamine, n-(1-(1-((4-fluorophenyl)methyl)-1h-benzimidazol-2-yl)-4-piperidinyl)-

Structural Information

Molecular Formula
C23H23FN6
SMILES
C1CN(CCC1NC2=NC=CC=N2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F
InChI
InChI=1S/C23H23FN6/c24-18-8-6-17(7-9-18)16-30-21-5-2-1-4-20(21)28-23(30)29-14-10-19(11-15-29)27-22-25-12-3-13-26-22/h1-9,12-13,19H,10-11,14-16H2,(H,25,26,27)
InChIKey
ZVBZUPGSMOFWIL-UHFFFAOYSA-N
Compound name
N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.1968 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20408 196.5
[M+Na]+ 425.18602 203.6
[M-H]- 401.18952 201.7
[M+NH4]+ 420.23062 201.8
[M+K]+ 441.15996 193.9
[M+H-H2O]+ 385.19406 181.1
[M+HCOO]- 447.19500 210.6
[M+CH3COO]- 461.21065 203.4
[M+Na-2H]- 423.17147 199.3
[M]+ 402.19625 192.3
[M]- 402.19735 192.3
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

patents stripe