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

14
Patents

249.11537 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 156.6
[M+Na]+ 272.10459 173.4
[M+NH4]+ 267.14919 166.3
[M+K]+ 288.07853 165.7
[M-H]- 248.10809 161.7
[M+Na-2H]- 270.09004 166.3
[M]+ 249.11482 160.7
[M]- 249.11592 160.7
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