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[5,4-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

98
Patents

368.19608 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.203356 194.3
[M+Na]+ 391.185298 202.2
[M-H]- 367.188804 195.4
[M+NH4]+ 386.229903 201.5
[M+K]+ 407.159238 198.9
[M+H-H2O]+ 351.193340 181.2
[M+HCOO]- 413.194281 201.7
[M+CH3COO]- 427.209931 200.8
[M+Na-2H]- 389.170746 192.0
[M]+ 368.19553142 189.3
[M]- 368.19662858 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