CID 16076063

4-[2-[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazine-5-carbonyl]benzonitrile

Structural Information

Molecular Formula
C31H31N5O2
SMILES
C1CCN(C1)CCNCC2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)C#N
InChI
InChI=1S/C31H31N5O2/c32-20-22-7-13-25(14-8-22)30(37)31-36-28(26-5-1-2-6-29(26)38-31)19-27(34-36)24-11-9-23(10-12-24)21-33-15-18-35-16-3-4-17-35/h1-2,5-14,28,31,33H,3-4,15-19,21H2
InChIKey
RRNVGUBUNNRUEG-UHFFFAOYSA-N
Compound name
4-[2-[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine-5-carbonyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.24777 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.25505 219.7
[M+Na]+ 528.23699 225.8
[M-H]- 504.24049 225.3
[M+NH4]+ 523.28159 223.2
[M+K]+ 544.21093 213.9
[M+H-H2O]+ 488.24503 200.4
[M+HCOO]- 550.24597 227.9
[M+CH3COO]- 564.26162 223.2
[M+Na-2H]- 526.22244 214.8
[M]+ 505.24722 211.6
[M]- 505.24832 211.6
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.