CID 118430504

1644156-41-1

Structural Information

Molecular Formula
C21H23FN4O
SMILES
CC1=C(C(=NN1C2=NC=C(C=N2)C3CC3)OC(C)C)CC4=CC=CC=C4F
InChI
InChI=1S/C21H23FN4O/c1-13(2)27-20-18(10-16-6-4-5-7-19(16)22)14(3)26(25-20)21-23-11-17(12-24-21)15-8-9-15/h4-7,11-13,15H,8-10H2,1-3H3
InChIKey
HNZNVWVVPQVTKE-UHFFFAOYSA-N
Compound name
5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

366.18558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19286 194.0
[M+Na]+ 389.17480 204.5
[M-H]- 365.17830 200.9
[M+NH4]+ 384.21940 198.3
[M+K]+ 405.14874 196.4
[M+H-H2O]+ 349.18284 181.8
[M+HCOO]- 411.18378 211.5
[M+CH3COO]- 425.19943 202.7
[M+Na-2H]- 387.16025 192.0
[M]+ 366.18503 197.8
[M]- 366.18613 197.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe