CID 509551

647376-38-3

Structural Information

Molecular Formula
C19H21N5O
SMILES
CN(C)C(=O)C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C19H21N5O/c1-24(2)19(25)14-5-3-13(4-6-14)9-10-21-18-16-11-15(20)7-8-17(16)22-12-23-18/h3-8,11-12H,9-10,20H2,1-2H3,(H,21,22,23)
InChIKey
ZLMDOAYCAUGSOY-UHFFFAOYSA-N
Compound name
4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.17462 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18190 180.6
[M+Na]+ 358.16384 186.7
[M-H]- 334.16734 186.4
[M+NH4]+ 353.20844 191.9
[M+K]+ 374.13778 182.1
[M+H-H2O]+ 318.17188 169.9
[M+HCOO]- 380.17282 202.7
[M+CH3COO]- 394.18847 222.8
[M+Na-2H]- 356.14929 186.1
[M]+ 335.17407 180.6
[M]- 335.17517 180.6
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

No patent data available for this compound.