CID 508856

4,7-dimethyl-n-[2-oxo-2-[[(3r)-1-(p-tolylmethyl)pyrrolidin-3-yl]amino]ethyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

Structural Information

Molecular Formula
C22H27N7O2
SMILES
CC1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=C(N4C(=CC(=N4)C)N=N3)C
InChI
InChI=1S/C22H27N7O2/c1-14-4-6-17(7-5-14)12-28-9-8-18(13-28)24-20(30)11-23-22(31)21-16(3)29-19(25-26-21)10-15(2)27-29/h4-7,10,18H,8-9,11-13H2,1-3H3,(H,23,31)(H,24,30)/t18-/m1/s1
InChIKey
LNPRLMDGYWIERM-GOSISDBHSA-N
Compound name
4,7-dimethyl-N-[2-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.22263 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.229906 201.8
[M+Na]+ 444.211848 208.4
[M-H]- 420.215354 207.4
[M+NH4]+ 439.256453 209.1
[M+K]+ 460.185788 202.6
[M+H-H2O]+ 404.219890 190.3
[M+HCOO]- 466.220831 218.8
[M+CH3COO]- 480.236481 209.5
[M+Na-2H]- 442.197296 200.2
[M]+ 421.22208142 203.4
[M]- 421.22317858 203.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.