CID 3052632

Brn 0451081

Structural Information

Molecular Formula
C27H30N2
SMILES
CC(CC1=CC=CC=C1)C2(CC(C2)N)N3C4=CC=CC=C4CCC5=CC=CC=C53
InChI
InChI=1S/C27H30N2/c1-20(17-21-9-3-2-4-10-21)27(18-24(28)19-27)29-25-13-7-5-11-22(25)15-16-23-12-6-8-14-26(23)29/h2-14,20,24H,15-19,28H2,1H3
InChIKey
WNIDQOBWNRJKRX-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(1-phenylpropan-2-yl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2409 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.24818 201.6
[M+Na]+ 405.23012 205.5
[M-H]- 381.23362 210.5
[M+NH4]+ 400.27472 208.3
[M+K]+ 421.20406 203.8
[M+H-H2O]+ 365.23816 188.2
[M+HCOO]- 427.23910 215.5
[M+CH3COO]- 441.25475 208.6
[M+Na-2H]- 403.21557 203.1
[M]+ 382.24035 203.1
[M]- 382.24145 203.1
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.