CID 11596613

Verucerfont

Structural Information

Molecular Formula
C22H26N6O2
SMILES
CC[C@@H](C1=NC(=NO1)C)NC2=CC(=NC3=C(C(=NN23)C)C4=C(C=C(C=C4)OC)C)C
InChI
InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1
InChIKey
VKHVAUKFLBBZFJ-SFHVURJKSA-N
Compound name
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

160
Patents

406.21173 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.21901 202.8
[M+Na]+ 429.20095 214.1
[M-H]- 405.20445 210.2
[M+NH4]+ 424.24555 210.6
[M+K]+ 445.17489 208.9
[M+H-H2O]+ 389.20899 192.0
[M+HCOO]- 451.20993 221.0
[M+CH3COO]- 465.22558 212.6
[M+Na-2H]- 427.18640 201.2
[M]+ 406.21118 211.2
[M]- 406.21228 211.2
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.