CID 3052635

Brn 0446692

Structural Information

Molecular Formula
C25H26N2
SMILES
CC1(CC(C1)(C2=CC=CC=C2)N)N3C4=CC=CC=C4CCC5=CC=CC=C53
InChI
InChI=1S/C25H26N2/c1-24(17-25(26,18-24)21-11-3-2-4-12-21)27-22-13-7-5-9-19(22)15-16-20-10-6-8-14-23(20)27/h2-14H,15-18,26H2,1H3
InChIKey
QKNJSZHJAWATCC-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-methyl-1-phenylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2096 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21688 195.5
[M+Na]+ 377.19882 201.8
[M-H]- 353.20232 205.2
[M+NH4]+ 372.24342 205.3
[M+K]+ 393.17276 199.3
[M+H-H2O]+ 337.20686 182.2
[M+HCOO]- 399.20780 211.0
[M+CH3COO]- 413.22345 203.8
[M+Na-2H]- 375.18427 199.5
[M]+ 354.20905 197.3
[M]- 354.21015 197.3
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.