CID 283018

8-methylbenzo[f]quinazoline-1,3-diamine

Structural Information

Molecular Formula
C13H12N4
SMILES
CC1=CC2=C(C=C1)C3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C13H12N4/c1-7-2-4-9-8(6-7)3-5-10-11(9)12(14)17-13(15)16-10/h2-6H,1H3,(H4,14,15,16,17)
InChIKey
UXOUKCFOWHPRDM-UHFFFAOYSA-N
Compound name
8-methylbenzo[f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

224.1062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.113476 149.3
[M+Na]+ 247.095418 161.1
[M-H]- 223.098924 152.5
[M+NH4]+ 242.140023 166.7
[M+K]+ 263.069358 155.2
[M+H-H2O]+ 207.103460 141.3
[M+HCOO]- 269.104401 171.8
[M+CH3COO]- 283.120051 162.1
[M+Na-2H]- 245.080866 158.9
[M]+ 224.10565142 149.0
[M]- 224.10674858 149.0
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