CID 136198623

7-hydroxyolanzapine

Structural Information

Molecular Formula
C17H20N4OS
SMILES
CC1=CC2=C(S1)NC3=C(C=C(C=C3)O)N=C2N4CCN(CC4)C
InChI
InChI=1S/C17H20N4OS/c1-11-9-13-16(21-7-5-20(2)6-8-21)18-15-10-12(22)3-4-14(15)19-17(13)23-11/h3-4,9-10,19,22H,5-8H2,1-2H3
InChIKey
SMNUCABXNXAPBY-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14305 179.6
[M+Na]+ 351.12499 187.9
[M-H]- 327.12849 182.0
[M+NH4]+ 346.16959 191.3
[M+K]+ 367.09893 184.6
[M+H-H2O]+ 311.13303 170.7
[M+HCOO]- 373.13397 186.4
[M+CH3COO]- 387.14962 187.8
[M+Na-2H]- 349.11044 178.5
[M]+ 328.13522 175.4
[M]- 328.13632 175.4
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