CID 16076065

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

Structural Information

Molecular Formula
C29H28N4O2
SMILES
CN(C)CCCC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=C(C=C5)C#N
InChI
InChI=1S/C29H28N4O2/c1-32(2)17-5-6-20-9-13-22(14-10-20)25-18-26-24-7-3-4-8-27(24)35-29(33(26)31-25)28(34)23-15-11-21(19-30)12-16-23/h3-4,7-16,26,29H,5-6,17-18H2,1-2H3
InChIKey
DOWUUYNNHOPOAE-UHFFFAOYSA-N
Compound name
4-[2-[4-[3-(dimethylamino)propyl]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

464.22122 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.22850 217.7
[M+Na]+ 487.21044 225.6
[M-H]- 463.21394 223.8
[M+NH4]+ 482.25504 223.6
[M+K]+ 503.18438 215.8
[M+H-H2O]+ 447.21848 198.9
[M+HCOO]- 509.21942 228.9
[M+CH3COO]- 523.23507 223.0
[M+Na-2H]- 485.19589 215.6
[M]+ 464.22067 213.5
[M]- 464.22177 213.5
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.