CID 472075

4-[[1-benzyl-5-(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]morpholine

Structural Information

Molecular Formula
C23H25ClN2O
SMILES
CC1=C(C=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)CN4CCOCC4
InChI
InChI=1S/C23H25ClN2O/c1-18-21(17-25-11-13-27-14-12-25)15-23(20-7-9-22(24)10-8-20)26(18)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16-17H2,1H3
InChIKey
YSPGROHAJZWCKR-UHFFFAOYSA-N
Compound name
4-[[1-benzyl-5-(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.16553 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17281 195.1
[M+Na]+ 403.15475 201.7
[M-H]- 379.15825 204.6
[M+NH4]+ 398.19935 204.8
[M+K]+ 419.12869 194.8
[M+H-H2O]+ 363.16279 183.6
[M+HCOO]- 425.16373 207.1
[M+CH3COO]- 439.17938 204.0
[M+Na-2H]- 401.14020 193.6
[M]+ 380.16498 195.0
[M]- 380.16608 195.0
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

No patent data available for this compound.