CID 135520964

Stk396214

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)C)NC2=O
InChI
InChI=1S/C16H14N2O/c1-10-3-6-12(7-4-10)17-15-13-9-11(2)5-8-14(13)18-16(15)19/h3-9H,1-2H3,(H,17,18,19)
InChIKey
IWYBNHMNMZRIAW-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-methylphenyl)imino-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 156.5
[M+Na]+ 273.09983 166.1
[M-H]- 249.10333 163.5
[M+NH4]+ 268.14443 175.3
[M+K]+ 289.07377 160.4
[M+H-H2O]+ 233.10787 148.9
[M+HCOO]- 295.10881 179.7
[M+CH3COO]- 309.12446 169.4
[M+Na-2H]- 271.08528 160.5
[M]+ 250.11006 155.7
[M]- 250.11116 155.8
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.