CID 43215

Clopipazan mesylate

Structural Information

Molecular Formula
C19H18ClNO
SMILES
CN1CCC(=C2C3=CC=CC=C3OC4=C2C=C(C=C4)Cl)CC1
InChI
InChI=1S/C19H18ClNO/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)22-18-7-6-14(20)12-16(18)19/h2-7,12H,8-11H2,1H3
InChIKey
QUXRAOQDUJFWIA-UHFFFAOYSA-N
Compound name
4-(2-chloroxanthen-9-ylidene)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

517
Patents

311.1077 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11498 172.1
[M+Na]+ 334.09692 189.5
[M+NH4]+ 329.14152 182.9
[M+K]+ 350.07086 179.0
[M-H]- 310.10042 179.8
[M+Na-2H]- 332.08237 179.4
[M]+ 311.10715 177.4
[M]- 311.10825 177.4
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