CID 135599731

Brn 6021634

Structural Information

Molecular Formula
C22H23N5O5
SMILES
CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])O)CN4CCCC4
InChI
InChI=1S/C22H23N5O5/c1-15-4-9-19-18(12-15)21(22(29)26(19)14-25-10-2-3-11-25)24-23-20(28)13-32-17-7-5-16(6-8-17)27(30)31/h4-9,12,29H,2-3,10-11,13-14H2,1H3
InChIKey
RAUZEKPNAIPJEU-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-methyl-1-(pyrrolidin-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]+ 438.177196 199.9
[M+Na]+ 460.159138 203.8
[M-H]- 436.162644 210.0
[M+NH4]+ 455.203743 209.5
[M+K]+ 476.133078 196.4
[M+H-H2O]+ 420.167180 193.7
[M+HCOO]- 482.168121 223.9
[M+CH3COO]- 496.183771 228.7
[M+Na-2H]- 458.144586 203.1
[M]+ 437.16937142 201.5
[M]- 437.17046858 201.5
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.