CID 454729

147920-14-7

Structural Information

Molecular Formula
C23H28N6O3
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)OC
InChI
InChI=1S/C23H28N6O3/c1-15(2)25-19-5-4-8-24-21(19)28-9-11-29(12-10-28)22(30)20-14-16-13-17(26-23(31)32-3)6-7-18(16)27-20/h4-8,13-15,25,27H,9-12H2,1-3H3,(H,26,31)
InChIKey
RJAJNEQIFMJEIK-UHFFFAOYSA-N
Compound name
methyl N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.2223 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.22958 203.6
[M+Na]+ 459.21152 207.2
[M-H]- 435.21502 207.7
[M+NH4]+ 454.25612 208.4
[M+K]+ 475.18546 201.7
[M+H-H2O]+ 419.21956 191.9
[M+HCOO]- 481.22050 217.0
[M+CH3COO]- 495.23615 209.6
[M+Na-2H]- 457.19697 203.2
[M]+ 436.22175 201.2
[M]- 436.22285 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.