CID 9908904

Bms-561388 besylate

Structural Information

Molecular Formula
C21H29N5O3
SMILES
CC1=C(C=CC(=C1)OC)C2=C3N=C(N=C(N3N=C2C)N(CCOC)CCOC)C
InChI
InChI=1S/C21H29N5O3/c1-14-13-17(29-6)7-8-18(14)19-15(2)24-26-20(19)22-16(3)23-21(26)25(9-11-27-4)10-12-28-5/h7-8,13H,9-12H2,1-6H3
InChIKey
DKAPUZDMFUBEBM-UHFFFAOYSA-N
Compound name
N,N-bis(2-methoxyethyl)-8-(4-methoxy-2-methylphenyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

18
Patents

399.22705 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23433 200.2
[M+Na]+ 422.21627 210.0
[M-H]- 398.21977 205.0
[M+NH4]+ 417.26087 209.8
[M+K]+ 438.19021 206.1
[M+H-H2O]+ 382.22431 188.8
[M+HCOO]- 444.22525 220.6
[M+CH3COO]- 458.24090 232.1
[M+Na-2H]- 420.20172 201.3
[M]+ 399.22650 211.5
[M]- 399.22760 211.5
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