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]+ 241.108376 152.3
[M+Na]+ 263.090318 163.9
[M-H]- 239.093824 155.4
[M+NH4]+ 258.134923 168.9
[M+K]+ 279.064258 158.6
[M+H-H2O]+ 223.098360 144.0
[M+HCOO]- 285.099301 174.9
[M+CH3COO]- 299.114951 164.9
[M+Na-2H]- 261.075766 161.9
[M]+ 240.10055142 153.4
[M]- 240.10164858 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.