CID 15953892

3-(2-indol-(n-methylcarbamoyl)-n-[(3-isopropylamino)-2-pyridinyl]tetrahydropyrrole

Structural Information

Molecular Formula
C22H27N5O
SMILES
CC(C)NC1=C(N=CC=C1)N2CCC(C2)N(C)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C22H27N5O/c1-15(2)24-19-9-6-11-23-21(19)27-12-10-17(14-27)26(3)22(28)20-13-16-7-4-5-8-18(16)25-20/h4-9,11,13,15,17,24-25H,10,12,14H2,1-3H3
InChIKey
FNRYYQDUVIPOQG-UHFFFAOYSA-N
Compound name
N-methyl-N-[1-[3-(propan-2-ylamino)pyridin-2-yl]pyrrolidin-3-yl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.22156 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 190.2
[M+Na]+ 400.21078 194.6
[M-H]- 376.21428 197.5
[M+NH4]+ 395.25538 201.5
[M+K]+ 416.18472 189.8
[M+H-H2O]+ 360.21882 179.7
[M+HCOO]- 422.21976 208.7
[M+CH3COO]- 436.23541 198.8
[M+Na-2H]- 398.19623 188.9
[M]+ 377.22101 188.9
[M]- 377.22211 188.9
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.