CID 479295

Chembl120826

Structural Information

Molecular Formula
C17H21N5
SMILES
C1CC2=C(CC1CN3CCC4=CC=CC=C43)C(=NC(=N2)N)N
InChI
InChI=1S/C17H21N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h1-4,11H,5-10H2,(H4,18,19,20,21)
InChIKey
QRPGXVPQNGORLI-UHFFFAOYSA-N
Compound name
6-(2,3-dihydroindol-1-ylmethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

295.1797 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18698 169.2
[M+Na]+ 318.16892 176.3
[M-H]- 294.17242 172.5
[M+NH4]+ 313.21352 183.3
[M+K]+ 334.14286 169.6
[M+H-H2O]+ 278.17696 159.2
[M+HCOO]- 340.17790 185.5
[M+CH3COO]- 354.19355 178.6
[M+Na-2H]- 316.15437 172.3
[M]+ 295.17915 163.5
[M]- 295.18025 163.5
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.