CID 3068664

83658-55-3

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN(C)CC1COC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-20(2)12-15-13-21-17-11-7-6-10-16(17)18(19-15)14-8-4-3-5-9-14/h3-11,15H,12-13H2,1-2H3
InChIKey
FJKNEDLVXBLBGE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-phenyl-2,3-dihydro-1,4-benzoxazepin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 165.2
[M+Na]+ 303.146778 170.7
[M-H]- 279.150284 174.0
[M+NH4]+ 298.191383 178.9
[M+K]+ 319.120718 172.6
[M+H-H2O]+ 263.154820 157.2
[M+HCOO]- 325.155761 185.5
[M+CH3COO]- 339.171411 176.4
[M+Na-2H]- 301.132226 171.7
[M]+ 280.15701142 163.7
[M]- 280.15810858 163.7
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.