CID 11524144

Dorsomorphin

Structural Information

Molecular Formula
C24H25N5O
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3
InChI
InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
InChIKey
XHBVYDAKJHETMP-UHFFFAOYSA-N
Compound name
6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

519
References

4817
Patents

399.2059 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21318 197.9
[M+Na]+ 422.19512 204.0
[M-H]- 398.19862 203.7
[M+NH4]+ 417.23972 203.1
[M+K]+ 438.16906 195.4
[M+H-H2O]+ 382.20316 182.8
[M+HCOO]- 444.20410 211.6
[M+CH3COO]- 458.21975 204.7
[M+Na-2H]- 420.18057 200.3
[M]+ 399.20535 195.9
[M]- 399.20645 195.9
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

patents stripe