CID 490673

Py 461

Structural Information

Molecular Formula
C13H14N4O
SMILES
COC1=CC=CC2=C1CCC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C13H14N4O/c1-18-10-4-2-3-8-7(10)5-6-9-11(8)12(14)17-13(15)16-9/h2-4H,5-6H2,1H3,(H4,14,15,16,17)
InChIKey
DVILESGKDWDVHA-UHFFFAOYSA-N
Compound name
7-methoxy-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

242.11676 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12404 153.7
[M+Na]+ 265.10598 163.3
[M-H]- 241.10948 156.1
[M+NH4]+ 260.15058 170.1
[M+K]+ 281.07992 158.5
[M+H-H2O]+ 225.11402 145.4
[M+HCOO]- 287.11496 173.5
[M+CH3COO]- 301.13061 165.3
[M+Na-2H]- 263.09143 161.4
[M]+ 242.11621 152.0
[M]- 242.11731 152.0
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

No patent data available for this compound.