CID 99764

1485-92-3

Structural Information

Molecular Formula

C₁₉H₁₉NO

SMILES

CC1(C2=CC=CC=C2N(C13C=CC4=CC=CC=C4O3)C)C

InChI

InChI=1S/C19H19NO/c1-18(2)15-9-5-6-10-16(15)20(3)19(18)13-12-14-8-4-7-11-17(14)21-19/h4-13H,1-3H3

InChIKey

CZTCZDFGLUDUQP-UHFFFAOYSA-N

Compound name

1',3',3'-trimethylspiro[chromene-2,2'-indole]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 315
Patents: 277.14667 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.15395	165.4
[M+Na]+	300.13589	176.4
[M-H]-	276.13939	172.9
[M+NH4]+	295.18049	187.4
[M+K]+	316.10983	171.6
[M+H-H2O]+	260.14393	157.0
[M+HCOO]-	322.14487	183.4
[M+CH3COO]-	336.16052	178.1
[M+Na-2H]-	298.12134	172.3
[M]+	277.14612	166.5
[M]-	277.14722	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe