CID 3007724

Schembl8681163

Structural Information

Molecular Formula
C23H20ClNO
SMILES
CC1(C2=C(C=CC(=C2)Cl)N(C13C=CC4=C(O3)C=CC5=CC=CC=C54)C)C
InChI
InChI=1S/C23H20ClNO/c1-22(2)19-14-16(24)9-10-20(19)25(3)23(22)13-12-18-17-7-5-4-6-15(17)8-11-21(18)26-23/h4-14H,1-3H3
InChIKey
LPHJVWLQTPUTDM-UHFFFAOYSA-N
Compound name
5'-chloro-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

361.12335 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13063 187.8
[M+Na]+ 384.11257 200.8
[M-H]- 360.11607 196.0
[M+NH4]+ 379.15717 208.2
[M+K]+ 400.08651 193.1
[M+H-H2O]+ 344.12061 178.2
[M+HCOO]- 406.12155 199.2
[M+CH3COO]- 420.13720 199.2
[M+Na-2H]- 382.09802 192.6
[M]+ 361.12280 191.7
[M]- 361.12390 191.7
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