CID 457341

Chembl23211

Structural Information

Molecular Formula
C19H17N5
SMILES
C1=CC=C2C(=C1)C=CC=C2NCC3=CC4=C(C=C3)N=C(N=C4N)N
InChI
InChI=1S/C19H17N5/c20-18-15-10-12(8-9-17(15)23-19(21)24-18)11-22-16-7-3-5-13-4-1-2-6-14(13)16/h1-10,22H,11H2,(H4,20,21,23,24)
InChIKey
OIWLBXVOEQWTCG-UHFFFAOYSA-N
Compound name
6-[(naphthalen-1-ylamino)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.1484 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15568 171.9
[M+Na]+ 338.13762 181.3
[M-H]- 314.14112 177.5
[M+NH4]+ 333.18222 184.5
[M+K]+ 354.11156 173.6
[M+H-H2O]+ 298.14566 161.6
[M+HCOO]- 360.14660 194.5
[M+CH3COO]- 374.16225 182.4
[M+Na-2H]- 336.12307 181.8
[M]+ 315.14785 170.4
[M]- 315.14895 170.4
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.