CID 334409

7h-pyrrolo[3,2-f]quinazoline-1,3-diamine

Structural Information

Molecular Formula
C10H9N5
SMILES
C1=C2C(=C(N=C(N2)N)N)C3=CC=NC3=C1
InChI
InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4H,11H2,(H3,12,14,15)
InChIKey
TYJMBWNFQVCGFT-UHFFFAOYSA-N
Compound name
4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

51
Patents

199.0858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09308 139.6
[M+Na]+ 222.07502 151.3
[M-H]- 198.07852 140.4
[M+NH4]+ 217.11962 157.6
[M+K]+ 238.04896 145.3
[M+H-H2O]+ 182.08306 132.1
[M+HCOO]- 244.08400 161.3
[M+CH3COO]- 258.09965 152.4
[M+Na-2H]- 220.06047 148.5
[M]+ 199.08525 137.6
[M]- 199.08635 137.6
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