CID 5387

Telenzepine

Structural Information

Molecular Formula
C19H22N4O2S
SMILES
CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C
InChI
InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25)
InChIKey
VSWPGAIWKHPTKX-UHFFFAOYSA-N
Compound name
1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

148
References

6771
Patents

370.14636 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15364 189.8
[M+Na]+ 393.13558 196.4
[M-H]- 369.13908 192.8
[M+NH4]+ 388.18018 199.9
[M+K]+ 409.10952 193.9
[M+H-H2O]+ 353.14362 180.4
[M+HCOO]- 415.14456 195.5
[M+CH3COO]- 429.16021 197.0
[M+Na-2H]- 391.12103 186.6
[M]+ 370.14581 185.9
[M]- 370.14691 185.9
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