CID 15956166

Schembl4890468

Structural Information

Molecular Formula
C24H25N5O2
SMILES
CNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C24H25N5O2/c1-25-15-20-7-9-23(31-20)17-2-8-22-21(14-17)24(27-16-26-22)28-18-3-5-19(6-4-18)29-10-12-30-13-11-29/h2-9,14,16,25H,10-13,15H2,1H3,(H,26,27,28)
InChIKey
MJNPFOCZKKQJLU-UHFFFAOYSA-N
Compound name
6-[5-(methylaminomethyl)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

415.20084 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20812 199.2
[M+Na]+ 438.19006 205.2
[M-H]- 414.19356 209.7
[M+NH4]+ 433.23466 203.9
[M+K]+ 454.16400 200.1
[M+H-H2O]+ 398.19810 186.2
[M+HCOO]- 460.19904 216.4
[M+CH3COO]- 474.21469 207.3
[M+Na-2H]- 436.17551 203.5
[M]+ 415.20029 198.7
[M]- 415.20139 198.7
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