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]+ 294.16008 170.9
[M+Na]+ 316.14202 186.4
[M+NH4]+ 311.18662 179.0
[M+K]+ 332.11596 177.3
[M-H]- 292.14552 175.8
[M+Na-2H]- 314.12747 179.9
[M]+ 293.15225 174.6
[M]- 293.15335 174.6
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.