CID 18753

Quinazoline, 4-((2-(dimethylamino)ethyl)amino)-

Structural Information

Molecular Formula
C12H16N4
SMILES
CN(C)CCNC1=NC=NC2=CC=CC=C21
InChI
InChI=1S/C12H16N4/c1-16(2)8-7-13-12-10-5-3-4-6-11(10)14-9-15-12/h3-6,9H,7-8H2,1-2H3,(H,13,14,15)
InChIKey
YTGHVUIQNDNPCX-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

216.1375 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14478 148.2
[M+Na]+ 239.12672 155.1
[M-H]- 215.13022 151.1
[M+NH4]+ 234.17132 165.2
[M+K]+ 255.10066 152.5
[M+H-H2O]+ 199.13476 139.3
[M+HCOO]- 261.13570 171.6
[M+CH3COO]- 275.15135 197.5
[M+Na-2H]- 237.11217 157.7
[M]+ 216.13695 149.2
[M]- 216.13805 149.2
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