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]+ 319.11894 174.2
[M+Na]+ 341.10088 185.2
[M-H]- 317.10438 184.4
[M+NH4]+ 336.14548 188.3
[M+K]+ 357.07482 180.9
[M+H-H2O]+ 301.10892 164.5
[M+HCOO]- 363.10986 196.8
[M+CH3COO]- 377.12551 186.6
[M+Na-2H]- 339.08633 176.1
[M]+ 318.11111 177.6
[M]- 318.11221 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.