CID 3074888

167375-27-1

Structural Information

Molecular Formula
C23H22N4O2
SMILES
CCCC1=C(C(=O)N2C(=N1)C=CN2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)N
InChI
InChI=1S/C23H22N4O2/c1-2-5-20-19(23(29)27-21(26-20)12-13-25-27)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)22(24)28/h3-4,6-13,25H,2,5,14H2,1H3,(H2,24,28)
InChIKey
FPUHBIQZLZYUIY-UHFFFAOYSA-N
Compound name
2-[4-[(7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.1743 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18158 194.8
[M+Na]+ 409.16352 204.0
[M-H]- 385.16702 200.9
[M+NH4]+ 404.20812 203.7
[M+K]+ 425.13746 195.6
[M+H-H2O]+ 369.17156 183.8
[M+HCOO]- 431.17250 213.7
[M+CH3COO]- 445.18815 203.9
[M+Na-2H]- 407.14897 196.1
[M]+ 386.17375 196.1
[M]- 386.17485 196.1
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