CID 27566

Brn 0653632

Structural Information

Molecular Formula
C16H16N2O
SMILES
CN(C)C1=CC=C2C(=CC1)N=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c1-18(2)13-8-10-14-15(11-9-13)19-16(17-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3
InChIKey
QUPHNGBWHDVLCY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-phenyl-5H-cyclohepta[d][1,3]oxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 156.4
[M+Na]+ 275.11549 164.5
[M-H]- 251.11899 166.5
[M+NH4]+ 270.16009 173.2
[M+K]+ 291.08943 166.1
[M+H-H2O]+ 235.12353 149.4
[M+HCOO]- 297.12447 180.8
[M+CH3COO]- 311.14012 169.7
[M+Na-2H]- 273.10094 163.0
[M]+ 252.12572 157.8
[M]- 252.12682 157.8
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

patents stripe