CID 135537769

Brn 6023494

Structural Information

Molecular Formula
C22H23N5O5
SMILES
C1CCN(CC1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C22H23N5O5/c28-20(14-32-17-10-8-16(9-11-17)27(30)31)23-24-21-18-6-2-3-7-19(18)26(22(21)29)15-25-12-4-1-5-13-25/h2-3,6-11,29H,1,4-5,12-15H2
InChIKey
JTAIPFHVNKOTGO-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.16992 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.17720 198.1
[M+Na]+ 460.15914 200.5
[M-H]- 436.16264 206.8
[M+NH4]+ 455.20374 205.4
[M+K]+ 476.13308 192.8
[M+H-H2O]+ 420.16718 190.5
[M+HCOO]- 482.16812 219.8
[M+CH3COO]- 496.18377 228.2
[M+Na-2H]- 458.14459 203.5
[M]+ 437.16937 197.0
[M]- 437.17047 197.0
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.