CID 594662

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

Structural Information

Molecular Formula
C22H20N2O
SMILES
CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=CC5=CC=CC=C54)C)C
InChI
InChI=1S/C22H20N2O/c1-21(2)17-10-6-7-11-18(17)24(3)22(21)14-23-20-16-9-5-4-8-15(16)12-13-19(20)25-22/h4-14H,1-3H3
InChIKey
CQTRKDFIQFOAQV-UHFFFAOYSA-N
Compound name
1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

658
Patents

328.15756 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16484 180.6
[M+Na]+ 351.14678 192.4
[M-H]- 327.15028 187.6
[M+NH4]+ 346.19138 199.8
[M+K]+ 367.12072 186.1
[M+H-H2O]+ 311.15482 169.5
[M+HCOO]- 373.15576 195.6
[M+CH3COO]- 387.17141 191.8
[M+Na-2H]- 349.13223 187.0
[M]+ 328.15701 182.0
[M]- 328.15811 182.0
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