CID 16077114

4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-n-methyl-n-(2-pyrrolidin-1-ylethyl)benzamide

Structural Information

Molecular Formula
C31H31FN4O3
SMILES
CN(CCN1CCCC1)C(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C31H31FN4O3/c1-34(18-19-35-16-4-5-17-35)30(38)23-10-8-21(9-11-23)26-20-27-25-6-2-3-7-28(25)39-31(36(27)33-26)29(37)22-12-14-24(32)15-13-22/h2-3,6-15,27,31H,4-5,16-20H2,1H3
InChIKey
RWEMAEFHAGBRFA-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.23804 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.24532 226.4
[M+Na]+ 549.22726 229.0
[M-H]- 525.23076 236.5
[M+NH4]+ 544.27186 230.7
[M+K]+ 565.20120 223.9
[M+H-H2O]+ 509.23530 213.2
[M+HCOO]- 571.23624 236.6
[M+CH3COO]- 585.25189 231.5
[M+Na-2H]- 547.21271 219.6
[M]+ 526.23749 224.2
[M]- 526.23859 224.2
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.