CID 213908

Brn 1006828

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
C1C2C(N=C(OC2C3=CC=CC=C31)N)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H15ClN2O/c18-12-7-5-10(6-8-12)15-14-9-11-3-1-2-4-13(11)16(14)21-17(19)20-15/h1-8,14-16H,9H2,(H2,19,20)
InChIKey
QQPSRWPENLYVTJ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4,4a,5,9b-tetrahydroindeno[2,1-e][1,3]oxazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08728 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.094556 168.5
[M+Na]+ 321.076498 178.2
[M-H]- 297.080004 175.8
[M+NH4]+ 316.121103 185.4
[M+K]+ 337.050438 172.1
[M+H-H2O]+ 281.084540 160.8
[M+HCOO]- 343.085481 182.9
[M+CH3COO]- 357.101131 180.1
[M+Na-2H]- 319.061946 172.5
[M]+ 298.08673142 168.8
[M]- 298.08782858 168.8
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

No patent data available for this compound.