CID 2817364

5-chloro-1,3-dihydro-1,3,3-trimethylspiro[2h-indole-2,3'-(3h)naphth[2,1-b](1,4)oxazine]

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

162
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 187.5
[M+Na]+ 385.10782 200.9
[M-H]- 361.11132 194.5
[M+NH4]+ 380.15242 206.5
[M+K]+ 401.08176 193.3
[M+H-H2O]+ 345.11586 176.9
[M+HCOO]- 407.11680 197.9
[M+CH3COO]- 421.13245 198.6
[M+Na-2H]- 383.09327 192.7
[M]+ 362.11805 191.5
[M]- 362.11915 191.5
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