CID 3058031

74406-06-7

Structural Information

Molecular Formula
C21H24N4O4
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC(C4=CC(=C(C=C4)O)NC=O)O
InChI
InChI=1S/C21H24N4O4/c26-13-22-17-11-14(5-6-19(17)27)20(28)12-24-9-7-15(8-10-24)25-18-4-2-1-3-16(18)23-21(25)29/h1-6,11,13,15,20,27-28H,7-10,12H2,(H,22,26)(H,23,29)
InChIKey
HCMQUWWPSTYLHQ-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-[1-hydroxy-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]phenyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.17975 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.18703 192.0
[M+Na]+ 419.16897 197.6
[M-H]- 395.17247 195.1
[M+NH4]+ 414.21357 198.9
[M+K]+ 435.14291 190.7
[M+H-H2O]+ 379.17701 181.7
[M+HCOO]- 441.17795 205.3
[M+CH3COO]- 455.19360 199.0
[M+Na-2H]- 417.15442 192.2
[M]+ 396.17920 188.7
[M]- 396.18030 188.7
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.