CID 9588480

Brn 5643941

Structural Information

Molecular Formula
C21H21N5O3
SMILES
CC\1=NNC(=O)/C1=C\C2=CC=C(C=C2)OCC(=O)N/N=C(\C)/C3=CC=C(C=C3)N
InChI
InChI=1S/C21H21N5O3/c1-13(16-5-7-17(22)8-6-16)23-25-20(27)12-29-18-9-3-15(4-10-18)11-19-14(2)24-26-21(19)28/h3-11H,12,22H2,1-2H3,(H,25,27)(H,26,28)/b19-11-,23-13+
InChIKey
LZXZVQAAVRVGIV-FASIFTCYSA-N
Compound name
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.16443 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17171 193.4
[M+Na]+ 414.15365 198.2
[M-H]- 390.15715 200.5
[M+NH4]+ 409.19825 202.2
[M+K]+ 430.12759 192.8
[M+H-H2O]+ 374.16169 182.6
[M+HCOO]- 436.16263 215.3
[M+CH3COO]- 450.17828 227.2
[M+Na-2H]- 412.13910 192.7
[M]+ 391.16388 191.3
[M]- 391.16498 191.3
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.