CID 24756910

Cudc-101

Structural Information

Molecular Formula
C24H26N4O4
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCCCCCC(=O)NO
InChI
InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
InChIKey
PLIVFNIUGLLCEK-UHFFFAOYSA-N
Compound name
7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

45
References

6278
Patents

434.1954 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20268 205.2
[M+Na]+ 457.18462 211.7
[M-H]- 433.18812 204.8
[M+NH4]+ 452.22922 209.9
[M+K]+ 473.15856 204.2
[M+H-H2O]+ 417.19266 187.9
[M+HCOO]- 479.19360 217.5
[M+CH3COO]- 493.20925 236.1
[M+Na-2H]- 455.17007 206.4
[M]+ 434.19485 202.5
[M]- 434.19595 202.5
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