CID 11037911

154505-70-1

Structural Information

Molecular Formula
C31H30N2O2
SMILES
CC(C)(C1=CC2=C(C=C1)OCN(C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCN(C5)C6=CC=CC=C6
InChI
InChI=1S/C31H30N2O2/c1-31(2,25-13-15-29-23(17-25)19-32(21-34-29)27-9-5-3-6-10-27)26-14-16-30-24(18-26)20-33(22-35-30)28-11-7-4-8-12-28/h3-18H,19-22H2,1-2H3
InChIKey
NAEJIUKUFIHRKT-UHFFFAOYSA-N
Compound name
3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

462.23074 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.23802 217.6
[M+Na]+ 485.21996 221.6
[M-H]- 461.22346 228.0
[M+NH4]+ 480.26456 220.5
[M+K]+ 501.19390 216.1
[M+H-H2O]+ 445.22800 202.6
[M+HCOO]- 507.22894 225.5
[M+CH3COO]- 521.24459 223.2
[M+Na-2H]- 483.20541 220.8
[M]+ 462.23019 213.4
[M]- 462.23129 213.4
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.