CID 99780714

4-{3-[(6-methylquinazolin-4-yl)amino]propyl}phenol

Structural Information

Molecular Formula
C18H19N3O
SMILES
CC1=CC2=C(C=C1)N=CN=C2NCCCC3=CC=C(C=C3)O
InChI
InChI=1S/C18H19N3O/c1-13-4-9-17-16(11-13)18(21-12-20-17)19-10-2-3-14-5-7-15(22)8-6-14/h4-9,11-12,22H,2-3,10H2,1H3,(H,19,20,21)
InChIKey
UJFVARWSOVIVLZ-UHFFFAOYSA-N
Compound name
4-[3-[(6-methylquinazolin-4-yl)amino]propyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1528 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 169.9
[M+Na]+ 316.142018 177.6
[M-H]- 292.145524 173.4
[M+NH4]+ 311.186623 182.6
[M+K]+ 332.115958 171.1
[M+H-H2O]+ 276.150060 160.0
[M+HCOO]- 338.151001 189.6
[M+CH3COO]- 352.166651 180.1
[M+Na-2H]- 314.127466 177.0
[M]+ 293.15225142 170.1
[M]- 293.15334858 170.1
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

No patent data available for this compound.