CID 24779675

2-(cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

Structural Information

Molecular Formula
C19H21N7
SMILES
C1CCC(CC1)CNC2=NC3=C(C=NN3C(=N2)NC4=CC=CC=C4)C#N
InChI
InChI=1S/C19H21N7/c20-11-15-13-22-26-17(15)24-18(21-12-14-7-3-1-4-8-14)25-19(26)23-16-9-5-2-6-10-16/h2,5-6,9-10,13-14H,1,3-4,7-8,12H2,(H2,21,23,24,25)
InChIKey
NCVMTHVSAJMOPI-UHFFFAOYSA-N
Compound name
4-anilino-2-(cyclohexylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

347.18585 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19313 178.4
[M+Na]+ 370.17507 185.9
[M-H]- 346.17857 179.9
[M+NH4]+ 365.21967 185.7
[M+K]+ 386.14901 176.8
[M+H-H2O]+ 330.18311 159.1
[M+HCOO]- 392.18405 192.4
[M+CH3COO]- 406.19970 184.8
[M+Na-2H]- 368.16052 182.6
[M]+ 347.18530 169.5
[M]- 347.18640 169.5
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