CID 456187

Ej414

Structural Information

Molecular Formula
C13H12N4O
SMILES
COC1=CC2=C(C=C1)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C13H12N4O/c1-18-8-4-2-7-3-5-10-11(9(7)6-8)12(14)17-13(15)16-10/h2-6H,1H3,(H4,14,15,16,17)
InChIKey
LKYSUZLQYNDFAY-UHFFFAOYSA-N
Compound name
9-methoxybenzo[f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

240.1011 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 152.3
[M+Na]+ 263.09032 163.9
[M-H]- 239.09382 155.4
[M+NH4]+ 258.13492 168.9
[M+K]+ 279.06426 158.6
[M+H-H2O]+ 223.09836 144.0
[M+HCOO]- 285.09930 174.9
[M+CH3COO]- 299.11495 164.9
[M+Na-2H]- 261.07577 161.9
[M]+ 240.10055 153.4
[M]- 240.10165 153.4
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

No patent data available for this compound.