CID 218055

Nsc 156251

Structural Information

Molecular Formula
C16H17N5
SMILES
CN(CC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H17N5/c1-21(10-11-5-3-2-4-6-11)12-7-8-14-13(9-12)15(17)20-16(18)19-14/h2-9H,10H2,1H3,(H4,17,18,19,20)
InChIKey
OBKKXWYAQMXLEN-UHFFFAOYSA-N
Compound name
6-N-benzyl-6-N-methylquinazoline-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.1484 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15568 164.8
[M+Na]+ 302.13762 172.5
[M-H]- 278.14112 170.5
[M+NH4]+ 297.18222 178.4
[M+K]+ 318.11156 167.5
[M+H-H2O]+ 262.14566 154.8
[M+HCOO]- 324.14660 188.0
[M+CH3COO]- 338.16225 175.8
[M+Na-2H]- 300.12307 172.0
[M]+ 279.14785 162.9
[M]- 279.14895 162.9
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.