CID 3043063

1-(8-cyclopropyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate

Structural Information

Molecular Formula
C22H26N2S
SMILES
CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C5CC5
InChI
InChI=1S/C22H26N2S/c1-23-10-12-24(13-11-23)20-15-18-4-2-3-5-21(18)25-22-9-8-17(14-19(20)22)16-6-7-16/h2-5,8-9,14,16,20H,6-7,10-13,15H2,1H3
InChIKey
DLSUFACMIBUKFV-UHFFFAOYSA-N
Compound name
1-(3-cyclopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.18167 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18895 185.4
[M+Na]+ 373.17089 199.6
[M+NH4]+ 368.21549 195.3
[M+K]+ 389.14483 190.6
[M-H]- 349.17439 197.8
[M+Na-2H]- 371.15634 194.2
[M]+ 350.18112 192.7
[M]- 350.18222 192.7
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

No patent data available for this compound.