CID 439530

Puromycin

Structural Information

Molecular Formula
C22H29N7O5
SMILES
CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O
InChI
InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1
InChIKey
RXWNCPJZOCPEPQ-NVWDDTSBSA-N
Compound name
(2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5950
References

102578
Patents

471.22302 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.23030 210.7
[M+Na]+ 494.21224 218.4
[M+NH4]+ 489.25684 212.7
[M+K]+ 510.18618 220.8
[M-H]- 470.21574 214.0
[M+Na-2H]- 492.19769 212.6
[M]+ 471.22247 212.0
[M]- 471.22357 212.0
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

patents stripe