CID 509555

Schembl4260827

Structural Information

Molecular Formula
C23H22N4O
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)CCNC3=NC=NC4=C3C=C(C=C4)N
InChI
InChI=1S/C23H22N4O/c24-19-8-11-22-21(14-19)23(27-16-26-22)25-13-12-17-6-9-20(10-7-17)28-15-18-4-2-1-3-5-18/h1-11,14,16H,12-13,15,24H2,(H,25,26,27)
InChIKey
YDBMBLOCMBOIDT-UHFFFAOYSA-N
Compound name
4-N-[2-(4-phenylmethoxyphenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

370.17935 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18663 188.7
[M+Na]+ 393.16857 194.8
[M-H]- 369.17207 195.5
[M+NH4]+ 388.21317 197.5
[M+K]+ 409.14251 187.2
[M+H-H2O]+ 353.17661 176.4
[M+HCOO]- 415.17755 209.6
[M+CH3COO]- 429.19320 197.3
[M+Na-2H]- 391.15402 195.8
[M]+ 370.17880 187.9
[M]- 370.17990 187.9
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