CID 10401956

N-(4-phenylamino-quinazolin-6-yl)-acrylamide

Structural Information

Molecular Formula
C17H14N4O
SMILES
C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC=C3
InChI
InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)
InChIKey
JGWHILNNHLDARR-UHFFFAOYSA-N
Compound name
N-(4-anilinoquinazolin-6-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

290.11676 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12404 166.1
[M+Na]+ 313.10598 173.2
[M-H]- 289.10948 170.9
[M+NH4]+ 308.15058 178.9
[M+K]+ 329.07992 167.2
[M+H-H2O]+ 273.11402 156.0
[M+HCOO]- 335.11496 188.2
[M+CH3COO]- 349.13061 176.6
[M+Na-2H]- 311.09143 174.5
[M]+ 290.11621 164.7
[M]- 290.11731 164.7
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