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

91
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 194.3
[M+Na]+ 391.18530 202.2
[M-H]- 367.18880 195.4
[M+NH4]+ 386.22990 201.5
[M+K]+ 407.15924 198.9
[M+H-H2O]+ 351.19334 181.2
[M+HCOO]- 413.19428 201.7
[M+CH3COO]- 427.20993 200.8
[M+Na-2H]- 389.17075 192.0
[M]+ 368.19553 189.3
[M]- 368.19663 189.3
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