CID 11465618

Zicronapine

Structural Information

Molecular Formula
C22H27ClN2
SMILES
CC1(CN(CCN1C)[C@@H]2C[C@H](C3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C
InChI
InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3/t19-,21+/m0/s1
InChIKey
BYPMJBXPNZMNQD-PZJWPPBQSA-N
Compound name
4-[(1R,3S)-6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

818
Patents

354.18628 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19356 187.5
[M+Na]+ 377.17550 203.6
[M+NH4]+ 372.22010 198.9
[M+K]+ 393.14944 192.9
[M-H]- 353.17900 194.3
[M+Na-2H]- 375.16095 196.5
[M]+ 354.18573 192.5
[M]- 354.18683 192.5
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