CID 467889

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

Structural Information

Molecular Formula
C11H11N5
SMILES
CN1C=CC2=C1C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C11H11N5/c1-16-5-4-6-8(16)3-2-7-9(6)10(12)15-11(13)14-7/h2-5H,1H3,(H4,12,13,14,15)
InChIKey
WSISEVQVCUARDZ-UHFFFAOYSA-N
Compound name
7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

213.10144 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10872 145.6
[M+Na]+ 236.09066 158.2
[M-H]- 212.09416 147.9
[M+NH4]+ 231.13526 164.1
[M+K]+ 252.06460 152.8
[M+H-H2O]+ 196.09870 137.7
[M+HCOO]- 258.09964 168.3
[M+CH3COO]- 272.11529 158.8
[M+Na-2H]- 234.07611 153.4
[M]+ 213.10089 146.0
[M]- 213.10199 146.0
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.