CID 3104873

114747-44-3

Structural Information

Molecular Formula
C30H27N3O
SMILES
CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCC7=CC=CC=C76)C)C
InChI
InChI=1S/C30H27N3O/c1-29(2)23-13-7-9-15-25(23)32(3)30(29)19-31-28-22-12-6-5-11-21(22)26(18-27(28)34-30)33-17-16-20-10-4-8-14-24(20)33/h4-15,18-19H,16-17H2,1-3H3
InChIKey
PITZBBWQUBGWTD-UHFFFAOYSA-N
Compound name
6-(2,3-dihydroindol-1-yl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

445.21542 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.22270 212.4
[M+Na]+ 468.20464 230.5
[M+NH4]+ 463.24924 225.3
[M+K]+ 484.17858 219.3
[M-H]- 444.20814 221.1
[M+Na-2H]- 466.19009 220.1
[M]+ 445.21487 218.3
[M]- 445.21597 218.3
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