CID 135570660

2-(2-cyano-3-amino-3-(phenylamino)prop-2-enylidene)indolin-3-one

Structural Information

Molecular Formula
C18H14N4O
SMILES
C1=CC=C(C=C1)N=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C18H14N4O/c19-11-12(18(20)21-13-6-2-1-3-7-13)10-16-17(23)14-8-4-5-9-15(14)22-16/h1-10,22-23H,(H2,20,21)/b12-10-
InChIKey
YBVUZQHSRFJDAZ-BENRWUELSA-N
Compound name
(Z)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)-N'-phenylprop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.11676 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12404 181.2
[M+Na]+ 325.10598 190.2
[M-H]- 301.10948 184.0
[M+NH4]+ 320.15058 193.8
[M+K]+ 341.07992 181.5
[M+H-H2O]+ 285.11402 166.0
[M+HCOO]- 347.11496 199.1
[M+CH3COO]- 361.13061 189.3
[M+Na-2H]- 323.09143 182.7
[M]+ 302.11621 172.9
[M]- 302.11731 172.9
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.