CID 3040730

Brn 0849314

Structural Information

Molecular Formula
C27H33N3
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)CCCN(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C27H33N3/c1-23-14-15-27(22-24(23)2)29-20-18-28(19-21-29)16-9-17-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-15,22H,9,16-21H2,1-2H3
InChIKey
UDYPRTCXMDRRIW-UHFFFAOYSA-N
Compound name
N-[3-[4-(3,4-dimethylphenyl)piperazin-1-yl]propyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.26746 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.27474 202.7
[M+Na]+ 422.25668 204.9
[M-H]- 398.26018 211.7
[M+NH4]+ 417.30128 209.8
[M+K]+ 438.23062 197.9
[M+H-H2O]+ 382.26472 188.8
[M+HCOO]- 444.26566 219.3
[M+CH3COO]- 458.28131 209.6
[M+Na-2H]- 420.24213 203.1
[M]+ 399.26691 198.8
[M]- 399.26801 198.8
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.