CID 479109

6-[(3,5-dimethoxyphenyl)methyl]-7h-pyrrolo[3,2-f]quinazoline-1,3-diamine

Structural Information

Molecular Formula
C19H19N5O2
SMILES
COC1=CC(=CC(=C1)CC2=C3C(=CC=N3)C4=C(N=C(NC4=C2)N)N)OC
InChI
InChI=1S/C19H19N5O2/c1-25-12-6-10(7-13(9-12)26-2)5-11-8-15-16(14-3-4-22-17(11)14)18(20)24-19(21)23-15/h3-4,6-9H,5,20H2,1-2H3,(H3,21,23,24)
InChIKey
YQVNAQLVRJWHOK-UHFFFAOYSA-N
Compound name
6-[(3,5-dimethoxyphenyl)methyl]-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.15387 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16115 183.1
[M+Na]+ 372.14309 194.0
[M-H]- 348.14659 187.3
[M+NH4]+ 367.18769 194.9
[M+K]+ 388.11703 186.9
[M+H-H2O]+ 332.15113 173.4
[M+HCOO]- 394.15207 203.0
[M+CH3COO]- 408.16772 193.2
[M+Na-2H]- 370.12854 187.4
[M]+ 349.15332 185.4
[M]- 349.15442 185.4
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.