CID 393300

Nsc694965

Structural Information

Molecular Formula
C20H20N2O
SMILES
CC1C(N(C2=CC=CC=C12)C(=O)C)C3=C(C4=CC=CC=C4N3)C
InChI
InChI=1S/C20H20N2O/c1-12-15-8-4-6-10-17(15)21-19(12)20-13(2)16-9-5-7-11-18(16)22(20)14(3)23/h4-11,13,20-21H,1-3H3
InChIKey
GMJDOKYWXPAYTM-UHFFFAOYSA-N
Compound name
1-[3-methyl-2-(3-methyl-1H-indol-2-yl)-2,3-dihydroindol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.15756 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 174.5
[M+Na]+ 327.14678 185.1
[M-H]- 303.15028 180.6
[M+NH4]+ 322.19138 192.5
[M+K]+ 343.12072 178.3
[M+H-H2O]+ 287.15482 167.1
[M+HCOO]- 349.15576 193.2
[M+CH3COO]- 363.17141 186.2
[M+Na-2H]- 325.13223 174.1
[M]+ 304.15701 176.1
[M]- 304.15811 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.