CID 5329275

Tyrphostin ag 808

Structural Information

Molecular Formula
C18H12N2O3
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C(\C#N)/C(=O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C18H12N2O3/c19-9-12(18(23)11-5-6-16(21)17(22)8-11)7-13-10-20-15-4-2-1-3-14(13)15/h1-8,10,20-22H/b12-7+
InChIKey
TTZDOBVWBQXGDC-KPKJPENVSA-N
Compound name
(E)-2-(3,4-dihydroxybenzoyl)-3-(1H-indol-3-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

61
Patents

304.08478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09206 179.4
[M+Na]+ 327.07400 189.9
[M-H]- 303.07750 180.9
[M+NH4]+ 322.11860 191.7
[M+K]+ 343.04794 181.0
[M+H-H2O]+ 287.08204 165.4
[M+HCOO]- 349.08298 193.8
[M+CH3COO]- 363.09863 187.7
[M+Na-2H]- 325.05945 179.6
[M]+ 304.08423 172.9
[M]- 304.08533 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

literature stripe

Patent stripe

patents stripe