CID 3010157

115204-49-4

Structural Information

Molecular Formula
C23H25N7O
SMILES
CN(C)C1=NC=NC2=C1N=CN2CC3=CC(=CC=C3)NC(=O)C(CC4=CC=CC=C4)N
InChI
InChI=1S/C23H25N7O/c1-29(2)21-20-22(26-14-25-21)30(15-27-20)13-17-9-6-10-18(11-17)28-23(31)19(24)12-16-7-4-3-5-8-16/h3-11,14-15,19H,12-13,24H2,1-2H3,(H,28,31)
InChIKey
QEWGXGHHWKBXQX-UHFFFAOYSA-N
Compound name
2-amino-N-[3-[[6-(dimethylamino)purin-9-yl]methyl]phenyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

415.21207 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.21935 198.5
[M+Na]+ 438.20129 204.2
[M-H]- 414.20479 205.5
[M+NH4]+ 433.24589 205.0
[M+K]+ 454.17523 198.4
[M+H-H2O]+ 398.20933 185.9
[M+HCOO]- 460.21027 219.0
[M+CH3COO]- 474.22592 206.5
[M+Na-2H]- 436.18674 202.3
[M]+ 415.21152 200.0
[M]- 415.21262 200.0
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.