CID 6510094

84640-78-8

Structural Information

Molecular Formula
C18H14N4O2
SMILES
CC1=CC\2=C(C=C1)N(C(=O)/C2=N/C3=NN=C(O3)C4=CC=CC=C4)C
InChI
InChI=1S/C18H14N4O2/c1-11-8-9-14-13(10-11)15(17(23)22(14)2)19-18-21-20-16(24-18)12-6-4-3-5-7-12/h3-10H,1-2H3/b19-15+
InChIKey
AWZXFZNWGJQYAS-XDJHFCHBSA-N
Compound name
(3E)-1,5-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.118936 174.2
[M+Na]+ 341.100878 185.2
[M-H]- 317.104384 184.4
[M+NH4]+ 336.145483 188.3
[M+K]+ 357.074818 180.9
[M+H-H2O]+ 301.108920 164.5
[M+HCOO]- 363.109861 196.8
[M+CH3COO]- 377.125511 186.6
[M+Na-2H]- 339.086326 176.1
[M]+ 318.11111142 177.6
[M]- 318.11220858 177.6
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.