CID 509550

647376-37-2

Structural Information

Molecular Formula
C17H17N5O
SMILES
C1=CC(=CC=C1CCNC2=NC=NC3=C2C=C(C=C3)N)C(=O)N
InChI
InChI=1S/C17H17N5O/c18-13-5-6-15-14(9-13)17(22-10-21-15)20-8-7-11-1-3-12(4-2-11)16(19)23/h1-6,9-10H,7-8,18H2,(H2,19,23)(H,20,21,22)
InChIKey
HYKGTENANDWVQJ-UHFFFAOYSA-N
Compound name
4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.1433 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15058 170.8
[M+Na]+ 330.13252 177.6
[M-H]- 306.13602 175.0
[M+NH4]+ 325.17712 182.3
[M+K]+ 346.10646 171.8
[M+H-H2O]+ 290.14056 160.7
[M+HCOO]- 352.14150 192.5
[M+CH3COO]- 366.15715 180.6
[M+Na-2H]- 328.11797 177.1
[M]+ 307.14275 168.1
[M]- 307.14385 168.1
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.