CID 35347

Brn 1454271

Structural Information

Molecular Formula
C15H15N
SMILES
CC1=CCC2=CN(C=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C15H15N/c1-12-7-8-13-10-16(11-14(13)9-12)15-5-3-2-4-6-15/h2-7,10-11H,8-9H2,1H3
InChIKey
ASQBOJLQWCQBSC-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-4,7-dihydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.12045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12773 146.6
[M+Na]+ 232.10967 155.1
[M-H]- 208.11317 153.0
[M+NH4]+ 227.15427 167.0
[M+K]+ 248.08361 150.4
[M+H-H2O]+ 192.11771 139.1
[M+HCOO]- 254.11865 168.6
[M+CH3COO]- 268.13430 159.8
[M+Na-2H]- 230.09512 152.0
[M]+ 209.11990 145.4
[M]- 209.12100 145.4
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

No patent data available for this compound.