CID 709849

9h-xanthene-9-carboxamide, n-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1CCN(C1)CCNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24
InChI
InChI=1S/C20H22N2O2/c23-20(21-11-14-22-12-5-6-13-22)19-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)19/h1-4,7-10,19H,5-6,11-14H2,(H,21,23)
InChIKey
WWQGKJGFWMZFOF-UHFFFAOYSA-N
Compound name
N-(2-pyrrolidin-1-ylethyl)-9H-xanthene-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

322.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.175396 175.2
[M+Na]+ 345.157338 179.6
[M-H]- 321.160844 181.6
[M+NH4]+ 340.201943 189.5
[M+K]+ 361.131278 175.5
[M+H-H2O]+ 305.165380 166.1
[M+HCOO]- 367.166321 191.8
[M+CH3COO]- 381.181971 184.8
[M+Na-2H]- 343.142786 178.7
[M]+ 322.16757142 172.8
[M]- 322.16866858 172.8
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