CID 447099

7-[2-methoxy-1-(methoxymethyl)ethyl]-7h-pyrrolo[3,2-f] quinazoline-1,3-diamine

Structural Information

Molecular Formula
C15H19N5O2
SMILES
COCC(COC)N1C=CC2=C1C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C15H19N5O2/c1-21-7-9(8-22-2)20-6-5-10-12(20)4-3-11-13(10)14(16)19-15(17)18-11/h3-6,9H,7-8H2,1-2H3,(H4,16,17,18,19)
InChIKey
MQTGHZCEDQNMOZ-UHFFFAOYSA-N
Compound name
7-(1,3-dimethoxypropan-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.15387 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16115 169.6
[M+Na]+ 324.14309 179.4
[M-H]- 300.14659 171.3
[M+NH4]+ 319.18769 184.1
[M+K]+ 340.11703 175.1
[M+H-H2O]+ 284.15113 160.7
[M+HCOO]- 346.15207 190.2
[M+CH3COO]- 360.16772 210.8
[M+Na-2H]- 322.12854 174.4
[M]+ 301.15332 173.4
[M]- 301.15442 173.4
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