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]+ 438.17720 200.4
[M+Na]+ 460.15914 211.3
[M+NH4]+ 455.20374 205.4
[M+K]+ 476.13308 211.9
[M-H]- 436.16264 206.1
[M+Na-2H]- 458.14459 206.0
[M]+ 437.16937 203.0
[M]- 437.17047 203.0
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.