CID 15956173

Schembl4890453

Structural Information

Molecular Formula
C23H20N4O3S
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(S5)C(=O)O
InChI
InChI=1S/C23H20N4O3S/c28-23(29)21-8-7-20(31-21)15-1-6-19-18(13-15)22(25-14-24-19)26-16-2-4-17(5-3-16)27-9-11-30-12-10-27/h1-8,13-14H,9-12H2,(H,28,29)(H,24,25,26)
InChIKey
ZRLRDCQZARXOFG-UHFFFAOYSA-N
Compound name
5-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

432.1256 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13288 197.6
[M+Na]+ 455.11482 204.7
[M-H]- 431.11832 206.8
[M+NH4]+ 450.15942 203.4
[M+K]+ 471.08876 198.5
[M+H-H2O]+ 415.12286 187.1
[M+HCOO]- 477.12380 209.1
[M+CH3COO]- 491.13945 205.5
[M+Na-2H]- 453.10027 199.0
[M]+ 432.12505 197.8
[M]- 432.12615 197.8
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