CID 3068585

1,3-dimethyl-4-piperidinoacetyl-1,4,9,10-tetrahydropyrrolo(3,2-b)(1,5)benzodiazepin-10-one

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CC1=CN(C2=C1N(C3=CC=CC=C3NC2=O)C(C)(N4CCCC=C4)O)C
InChI
InChI=1S/C20H24N4O2/c1-14-13-22(3)18-17(14)24(20(2,26)23-11-7-4-8-12-23)16-10-6-5-9-15(16)21-19(18)25/h5-7,9-11,13,26H,4,8,12H2,1-3H3,(H,21,25)
InChIKey
RMXPNMKDMBGFOB-UHFFFAOYSA-N
Compound name
10-[1-(3,4-dihydro-2H-pyridin-1-yl)-1-hydroxyethyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1899 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 188.3
[M+Na]+ 375.17912 198.4
[M+NH4]+ 370.22372 193.5
[M+K]+ 391.15306 195.7
[M-H]- 351.18262 188.9
[M+Na-2H]- 373.16457 191.0
[M]+ 352.18935 189.8
[M]- 352.19045 189.8
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.