CID 55427

Brn 4608389

Structural Information

Molecular Formula
C29H34N4O
SMILES
C1CC2=CC=CC=C2N=C(C1)NC3=CC=C(C=C3)OCCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C29H34N4O/c1-2-10-26(11-3-1)33-21-19-32(20-22-33)18-7-23-34-27-16-14-25(15-17-27)30-29-13-6-9-24-8-4-5-12-28(24)31-29/h1-5,8,10-12,14-17H,6-7,9,13,18-23H2,(H,30,31)
InChIKey
AKPDKARSGVNIPR-UHFFFAOYSA-N
Compound name
N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-4,5-dihydro-3H-1-benzazepin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.27325 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.28053 217.0
[M+Na]+ 477.26247 218.3
[M-H]- 453.26597 224.7
[M+NH4]+ 472.30707 220.4
[M+K]+ 493.23641 214.5
[M+H-H2O]+ 437.27051 202.7
[M+HCOO]- 499.27145 229.3
[M+CH3COO]- 513.28710 221.4
[M+Na-2H]- 475.24792 218.5
[M]+ 454.27270 208.9
[M]- 454.27380 208.9
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.