CID 3011401

N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrolyl]-4-pyridyl-carboxamide

Structural Information

Molecular Formula
C22H24N4O2
SMILES
CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCOCC4
InChI
InChI=1S/C22H24N4O2/c1-17-20(16-25-11-13-28-14-12-25)15-21(18-5-3-2-4-6-18)26(17)24-22(27)19-7-9-23-10-8-19/h2-10,15H,11-14,16H2,1H3,(H,24,27)
InChIKey
HTZJHMFSPDTPFP-UHFFFAOYSA-N
Compound name
N-[2-methyl-3-(morpholin-4-ylmethyl)-5-phenylpyrrol-1-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1899 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 191.4
[M+Na]+ 399.17912 195.6
[M-H]- 375.18262 200.0
[M+NH4]+ 394.22372 198.1
[M+K]+ 415.15306 190.7
[M+H-H2O]+ 359.18716 178.9
[M+HCOO]- 421.18810 207.6
[M+CH3COO]- 435.20375 199.4
[M+Na-2H]- 397.16457 191.7
[M]+ 376.18935 188.3
[M]- 376.19045 188.3
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

No patent data available for this compound.