CID 67261840

786684-28-4

Structural Information

Molecular Formula
C26H30FN7O3
SMILES
CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=CN(N=C3)CC(=O)NC4=CC(=CC=C4)F)CCO
InChI
InChI=1S/C26H30FN7O3/c1-2-33(10-11-35)9-4-12-37-22-7-8-23-24(14-22)28-18-29-26(23)32-21-15-30-34(16-21)17-25(36)31-20-6-3-5-19(27)13-20/h3,5-8,13-16,18,35H,2,4,9-12,17H2,1H3,(H,31,36)(H,28,29,32)
InChIKey
VSDDGQRRPZFYHV-UHFFFAOYSA-N
Compound name
2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

507.2394 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.24668 219.7
[M+Na]+ 530.22862 230.1
[M+NH4]+ 525.27322 222.3
[M+K]+ 546.20256 225.7
[M-H]- 506.23212 222.6
[M+Na-2H]- 528.21407 226.2
[M]+ 507.23885 221.5
[M]- 507.23995 221.5
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

patents stripe