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]+ 369.20336 186.4
[M+Na]+ 391.18530 188.2
[M-H]- 367.18880 190.4
[M+NH4]+ 386.22990 192.2
[M+K]+ 407.15924 183.2
[M+H-H2O]+ 351.19334 174.2
[M+HCOO]- 413.19428 203.4
[M+CH3COO]- 427.20993 222.4
[M+Na-2H]- 389.17075 189.2
[M]+ 368.19553 179.8
[M]- 368.19663 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.