CID 3070503

Brn 5648444

Structural Information

Molecular Formula
C19H24N6O2
SMILES
C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)NC(=O)N)C3=CC=CC=N3
InChI
InChI=1S/C19H24N6O2/c20-19(27)23-16-6-4-15(5-7-16)22-18(26)8-10-24-11-13-25(14-12-24)17-3-1-2-9-21-17/h1-7,9H,8,10-14H2,(H,22,26)(H3,20,23,27)
InChIKey
NXYUHGHVYVPGKX-UHFFFAOYSA-N
Compound name
N-[4-(carbamoylamino)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.19608 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.203356 186.4
[M+Na]+ 391.185298 188.2
[M-H]- 367.188804 190.4
[M+NH4]+ 386.229903 192.2
[M+K]+ 407.159238 183.2
[M+H-H2O]+ 351.193340 174.2
[M+HCOO]- 413.194281 203.4
[M+CH3COO]- 427.209931 222.4
[M+Na-2H]- 389.170746 189.2
[M]+ 368.19553142 179.8
[M]- 368.19662858 179.8
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.