CID 3008120

1-methyl-4-(2-methyl-1-naphthalen-1-yl-5-phenyl-1h-pyrrol-3-ylmethyl)-piperazine

Structural Information

Molecular Formula
C27H29N3
SMILES
CC1=C(C=C(N1C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C
InChI
InChI=1S/C27H29N3/c1-21-24(20-29-17-15-28(2)16-18-29)19-27(23-10-4-3-5-11-23)30(21)26-14-8-12-22-9-6-7-13-25(22)26/h3-14,19H,15-18,20H2,1-2H3
InChIKey
BIZXFZXPGPGGFS-UHFFFAOYSA-N
Compound name
1-methyl-4-[(2-methyl-1-naphthalen-1-yl-5-phenylpyrrol-3-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

395.23615 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.24343 201.9
[M+Na]+ 418.22537 209.0
[M-H]- 394.22887 210.9
[M+NH4]+ 413.26997 211.0
[M+K]+ 434.19931 199.8
[M+H-H2O]+ 378.23341 188.6
[M+HCOO]- 440.23435 217.5
[M+CH3COO]- 454.25000 210.0
[M+Na-2H]- 416.21082 201.2
[M]+ 395.23560 199.6
[M]- 395.23670 199.6
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.