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

2
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

literature stripe

Patent stripe

patents stripe