CID 2754456

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

Structural Information

Molecular Formula
C11H11N5
SMILES
CC1=CC2=C(N1)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C11H11N5/c1-5-4-6-7(14-5)2-3-8-9(6)10(12)16-11(13)15-8/h2-4,14H,1H3,(H4,12,13,15,16)
InChIKey
TVZWUWIEIFOOSS-UHFFFAOYSA-N
Compound name
8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

213.10144 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10872 145.6
[M+Na]+ 236.09066 157.9
[M-H]- 212.09416 146.7
[M+NH4]+ 231.13526 163.4
[M+K]+ 252.06460 151.6
[M+H-H2O]+ 196.09870 138.2
[M+HCOO]- 258.09964 166.9
[M+CH3COO]- 272.11529 158.3
[M+Na-2H]- 234.07611 153.1
[M]+ 213.10089 144.4
[M]- 213.10199 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.