CID 3086085

Zolenzepine

Structural Information

Molecular Formula
C19H24N6O2
SMILES
CC1=NN(C2=C1N(C3=CC=CC=C3NC2=O)C(=O)CN4CCN(CC4)C)C
InChI
InChI=1S/C19H24N6O2/c1-13-17-18(23(3)21-13)19(27)20-14-6-4-5-7-15(14)25(17)16(26)12-24-10-8-22(2)9-11-24/h4-7H,8-12H2,1-3H3,(H,20,27)
InChIKey
OBVFNDZOAJBXJM-UHFFFAOYSA-N
Compound name
1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

368.19608 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20336 192.1
[M+Na]+ 391.18530 201.9
[M+NH4]+ 386.22990 195.9
[M+K]+ 407.15924 199.5
[M-H]- 367.18880 191.6
[M+Na-2H]- 389.17075 193.1
[M]+ 368.19553 193.0
[M]- 368.19663 193.0
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

patents stripe