CID 68468086

Schembl15372527

Structural Information

Molecular Formula
C22H30N4O3
SMILES
CC1CCCN1CCCOC2=CC=C(C=C2)N3C=C(C=N3)C(=O)N4CCOCC4
InChI
InChI=1S/C22H30N4O3/c1-18-4-2-9-24(18)10-3-13-29-21-7-5-20(6-8-21)26-17-19(16-23-26)22(27)25-11-14-28-15-12-25/h5-8,16-18H,2-4,9-15H2,1H3
InChIKey
IABXVJILZYNSTM-UHFFFAOYSA-N
Compound name
[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

398.23178 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.239056 196.7
[M+Na]+ 421.220998 199.3
[M-H]- 397.224504 203.6
[M+NH4]+ 416.265603 203.2
[M+K]+ 437.194938 196.0
[M+H-H2O]+ 381.229040 184.5
[M+HCOO]- 443.229981 208.8
[M+CH3COO]- 457.245631 203.6
[M+Na-2H]- 419.206446 191.2
[M]+ 398.23123142 194.3
[M]- 398.23232858 194.3
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

patents stripe