CID 15956164

Schembl4884754

Structural Information

Molecular Formula
C27H29N5O3
SMILES
C1COCCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC=C(C=C5)N6CCOCC6
InChI
InChI=1S/C27H29N5O3/c1-7-25-24(17-20(1)26-8-6-23(35-26)18-31-9-13-33-14-10-31)27(29-19-28-25)30-21-2-4-22(5-3-21)32-11-15-34-16-12-32/h1-8,17,19H,9-16,18H2,(H,28,29,30)
InChIKey
RQRYLNXRKGPQMZ-UHFFFAOYSA-N
Compound name
6-[5-(morpholin-4-ylmethyl)furan-2-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

471.22705 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.23433 212.3
[M+Na]+ 494.21627 215.9
[M-H]- 470.21977 223.5
[M+NH4]+ 489.26087 211.2
[M+K]+ 510.19021 211.7
[M+H-H2O]+ 454.22431 197.3
[M+HCOO]- 516.22525 221.9
[M+CH3COO]- 530.24090 217.8
[M+Na-2H]- 492.20172 212.6
[M]+ 471.22650 208.5
[M]- 471.22760 208.5
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