CID 9554959

Nsc213713

Structural Information

Molecular Formula
C23H26N4O4
SMILES
COC1=CC=CC(=C1OC)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)N(CC=C)CC=C
InChI
InChI=1S/C23H26N4O4/c1-5-14-27(15-6-2)23(29)25-19-12-10-17(11-13-19)22(28)26-24-16-18-8-7-9-20(30-3)21(18)31-4/h5-13,16H,1-2,14-15H2,3-4H3,(H,25,29)(H,26,28)/b24-16+
InChIKey
RPPIBEKYOUOGOJ-LFVJCYFKSA-N
Compound name
4-[bis(prop-2-enyl)carbamoylamino]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20268 203.7
[M+Na]+ 445.18462 206.6
[M-H]- 421.18812 212.2
[M+NH4]+ 440.22922 213.3
[M+K]+ 461.15856 204.1
[M+H-H2O]+ 405.19266 192.7
[M+HCOO]- 467.19360 230.7
[M+CH3COO]- 481.20925 242.2
[M+Na-2H]- 443.17007 204.1
[M]+ 422.19485 207.8
[M]- 422.19595 207.8
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.