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]+ 422.22991 201.8
[M+Na]+ 444.21185 208.4
[M-H]- 420.21535 207.4
[M+NH4]+ 439.25645 209.1
[M+K]+ 460.18579 202.6
[M+H-H2O]+ 404.21989 190.3
[M+HCOO]- 466.22083 218.8
[M+CH3COO]- 480.23648 209.5
[M+Na-2H]- 442.19730 200.2
[M]+ 421.22208 203.4
[M]- 421.22318 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.