CID 23656870

N-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide

Structural Information

Molecular Formula
C20H16N8O
SMILES
CC(=O)NC1=CC=CC(=C1)NC2=NC3=C(C=NN3C(=N2)NC4=CC=CC=C4)C#N
InChI
InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27)
InChIKey
QVKXQLGRDOMAGC-UHFFFAOYSA-N
Compound name
N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

10
Patents

384.1447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15198 191.7
[M+Na]+ 407.13392 200.6
[M-H]- 383.13742 194.3
[M+NH4]+ 402.17852 197.2
[M+K]+ 423.10786 192.2
[M+H-H2O]+ 367.14196 172.4
[M+HCOO]- 429.14290 209.1
[M+CH3COO]- 443.15855 198.1
[M+Na-2H]- 405.11937 196.6
[M]+ 384.14415 186.3
[M]- 384.14525 186.3
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