CID 456969

138222-78-3

Structural Information

Molecular Formula
C18H25N3
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)CN3CCN(CC3)C
InChI
InChI=1S/C18H25N3/c1-15-13-17(14-20-11-9-19(3)10-12-20)16(2)21(15)18-7-5-4-6-8-18/h4-8,13H,9-12,14H2,1-3H3
InChIKey
MPMBGJXTJXFPSL-UHFFFAOYSA-N
Compound name
1-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.20483 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.21211 171.3
[M+Na]+ 306.19405 178.1
[M-H]- 282.19755 176.6
[M+NH4]+ 301.23865 184.9
[M+K]+ 322.16799 172.7
[M+H-H2O]+ 266.20209 160.7
[M+HCOO]- 328.20303 188.1
[M+CH3COO]- 342.21868 181.4
[M+Na-2H]- 304.17950 170.6
[M]+ 283.20428 168.7
[M]- 283.20538 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.