CID 3073410

148680-54-0

Structural Information

Molecular Formula
C23H25FN6O
SMILES
CC1=NN(C(=O)C2N1N=C(C2)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C23H25FN6O/c1-17-25-29(16-27-11-13-28(14-12-27)20-9-7-19(24)8-10-20)23(31)22-15-21(26-30(17)22)18-5-3-2-4-6-18/h2-10,22H,11-16H2,1H3
InChIKey
RSERVYLWROHEFY-UHFFFAOYSA-N
Compound name
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2074 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.21468 208.4
[M+Na]+ 443.19662 215.2
[M-H]- 419.20012 211.9
[M+NH4]+ 438.24122 211.9
[M+K]+ 459.17056 205.8
[M+H-H2O]+ 403.20466 192.4
[M+HCOO]- 465.20560 216.0
[M+CH3COO]- 479.22125 213.6
[M+Na-2H]- 441.18207 204.9
[M]+ 420.20685 202.3
[M]- 420.20795 202.3
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

No patent data available for this compound.