CID 135398745

Olanzapine

Structural Information

Molecular Formula
C17H20N4S
SMILES
CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
InChI
InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
InChIKey
KVWDHTXUZHCGIO-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

9224
References

56623
Patents

312.14087 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14815 174.8
[M+Na]+ 335.13009 186.6
[M+NH4]+ 330.17469 182.7
[M+K]+ 351.10403 179.9
[M-H]- 311.13359 177.6
[M+Na-2H]- 333.11554 179.3
[M]+ 312.14032 177.8
[M]- 312.14142 177.8
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