CID 2817364

27333-50-2

Structural Information

Molecular Formula
C22H19ClN2O
SMILES
CC1(C2=C(C=CC(=C2)Cl)N(C13C=NC4=C(O3)C=CC5=CC=CC=C54)C)C
InChI
InChI=1S/C22H19ClN2O/c1-21(2)17-12-15(23)9-10-18(17)25(3)22(21)13-24-20-16-7-5-4-6-14(16)8-11-19(20)26-22/h4-13H,1-3H3
InChIKey
VODQUQTUKIYWSU-UHFFFAOYSA-N
Compound name
5'-chloro-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

152
Patents

362.1186 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12588 185.8
[M+Na]+ 385.10782 204.6
[M+NH4]+ 380.15242 199.4
[M+K]+ 401.08176 191.8
[M-H]- 361.11132 192.8
[M+Na-2H]- 383.09327 194.5
[M]+ 362.11805 191.6
[M]- 362.11915 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe