CID 2783977

2-butenedioic acid (z)-, mono((bis(4-(dimethylamino)phenyl)methylene)hydrazide)

Structural Information

Molecular Formula
C21H24N4O3
SMILES
CN(C)C1=CC=C(C=C1)C(=NNC(=O)/C=C\C(=O)O)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C21H24N4O3/c1-24(2)17-9-5-15(6-10-17)21(23-22-19(26)13-14-20(27)28)16-7-11-18(12-8-16)25(3)4/h5-14H,1-4H3,(H,22,26)(H,27,28)/b14-13-
InChIKey
QHFBQCFFNVCRAG-YPKPFQOOSA-N
Compound name
(Z)-4-[2-[bis[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.18484 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 193.8
[M+Na]+ 403.17406 196.0
[M-H]- 379.17756 202.4
[M+NH4]+ 398.21866 204.8
[M+K]+ 419.14800 194.9
[M+H-H2O]+ 363.18210 183.6
[M+HCOO]- 425.18304 219.1
[M+CH3COO]- 439.19869 236.0
[M+Na-2H]- 401.15951 193.3
[M]+ 380.18429 195.0
[M]- 380.18539 195.0
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.