CID 16759369

Zm 323881 hydrochloride

Structural Information

Molecular Formula
C22H18FN3O2
SMILES
CC1=CC(=C(C=C1O)NC2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F
InChI
InChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26)
InChIKey
NVBNDZZLJRYRPD-UHFFFAOYSA-N
Compound name
4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

174
Patents

375.1383 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14558 190.3
[M+Na]+ 398.12752 199.0
[M-H]- 374.13102 195.9
[M+NH4]+ 393.17212 199.2
[M+K]+ 414.10146 191.4
[M+H-H2O]+ 358.13556 177.7
[M+HCOO]- 420.13650 208.7
[M+CH3COO]- 434.15215 199.3
[M+Na-2H]- 396.11297 195.5
[M]+ 375.13775 190.2
[M]- 375.13885 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe