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

2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.