CID 775565

151409-79-9

Structural Information

Molecular Formula

C₁₇H₁₅NO

SMILES

CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O

InChI

InChI=1S/C17H15NO/c1-13-6-8-14(9-7-13)10-18-11-15(12-19)16-4-2-3-5-17(16)18/h2-9,11-12H,10H2,1H3

InChIKey

RDJOPYUWTRUVCS-UHFFFAOYSA-N

Compound name

1-[(4-methylphenyl)methyl]indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 16
Patents: 249.11537 Da
Monoisotopic Mass: 3.4
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]+	250.12265	156.2
[M+Na]+	272.10459	167.1
[M-H]-	248.10809	163.5
[M+NH4]+	267.14919	175.4
[M+K]+	288.07853	161.4
[M+H-H2O]+	232.11263	148.5
[M+HCOO]-	294.11357	180.8
[M+CH3COO]-	308.12922	169.9
[M+Na-2H]-	270.09004	161.8
[M]+	249.11482	159.7
[M]-	249.11592	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe