CID 16122632

(s)-1-phenyl-1-[4-(9h-purin-6-yl)phenyl]methanamine

Structural Information

Molecular Formula
C18H15N5
SMILES
C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)C3=C4C(=NC=N3)N=CN4)N
InChI
InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)/t15-/m0/s1
InChIKey
CWHMAWBXRCDOEB-HNNXBMFYSA-N
Compound name
(S)-phenyl-[4-(7H-purin-6-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.13275 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14003 168.7
[M+Na]+ 324.12197 177.5
[M-H]- 300.12547 173.0
[M+NH4]+ 319.16657 179.2
[M+K]+ 340.09591 169.3
[M+H-H2O]+ 284.13001 157.6
[M+HCOO]- 346.13095 187.4
[M+CH3COO]- 360.14660 178.6
[M+Na-2H]- 322.10742 175.1
[M]+ 301.13220 166.3
[M]- 301.13330 166.4
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.