CID 3007725

3',3'-dimethyl-1'-phenyl-spiro[benzo[f][1,4]benzoxazine-3,2'-indoline]

Structural Information

Molecular Formula
C27H22N2O
SMILES
CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6)C
InChI
InChI=1S/C27H22N2O/c1-26(2)22-14-8-9-15-23(22)29(20-11-4-3-5-12-20)27(26)18-28-25-21-13-7-6-10-19(21)16-17-24(25)30-27/h3-18H,1-2H3
InChIKey
MNIXRUFBFSINNZ-UHFFFAOYSA-N
Compound name
3',3'-dimethyl-1'-phenylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.17322 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18050 198.6
[M+Na]+ 413.16244 209.3
[M-H]- 389.16594 208.1
[M+NH4]+ 408.20704 214.2
[M+K]+ 429.13638 201.6
[M+H-H2O]+ 373.17048 184.7
[M+HCOO]- 435.17142 212.8
[M+CH3COO]- 449.18707 208.1
[M+Na-2H]- 411.14789 203.7
[M]+ 390.17267 198.5
[M]- 390.17377 198.5
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.