CID 10903565

Dictyoquinazol b

Structural Information

Molecular Formula
C18H20N2O4
SMILES
COC1=CC2=C(C=C1)N(CN(C2)C3=C(C=C(C=C3)OC)CO)C=O
InChI
InChI=1S/C18H20N2O4/c1-23-15-3-5-17-13(7-15)9-19(11-20(17)12-22)18-6-4-16(24-2)8-14(18)10-21/h3-8,12,21H,9-11H2,1-2H3
InChIKey
ZPMNGXXERQAMJD-UHFFFAOYSA-N
Compound name
3-[2-(hydroxymethyl)-4-methoxyphenyl]-6-methoxy-2,4-dihydroquinazoline-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

328.1423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 177.7
[M+Na]+ 351.13152 185.7
[M-H]- 327.13502 181.2
[M+NH4]+ 346.17612 189.4
[M+K]+ 367.10546 181.3
[M+H-H2O]+ 311.13956 167.9
[M+HCOO]- 373.14050 194.1
[M+CH3COO]- 387.15615 208.8
[M+Na-2H]- 349.11697 180.8
[M]+ 328.14175 180.0
[M]- 328.14285 180.0
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