CID 4848

Pirenzepine

Structural Information

Molecular Formula
C19H21N5O2
SMILES
CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
InChIKey
RMHMFHUVIITRHF-UHFFFAOYSA-N
Compound name
11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

4125
References

15822
Patents

351.16953 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 186.3
[M+Na]+ 374.15875 197.6
[M+NH4]+ 369.20335 191.2
[M+K]+ 390.13269 192.3
[M-H]- 350.16225 187.3
[M+Na-2H]- 372.14420 190.0
[M]+ 351.16898 188.0
[M]- 351.17008 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe