CID 54485307

72955-45-4

Structural Information

Molecular Formula
C14H17NO4
SMILES
CN(C)C1=CC=C(C=C1)C=C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C14H17NO4/c1-15(2)11-7-5-10(6-8-11)9-12(13(16)18-3)14(17)19-4/h5-9H,1-4H3
InChIKey
XRWMXBVSOKQLHH-UHFFFAOYSA-N
Compound name
dimethyl 2-[[4-(dimethylamino)phenyl]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

53
Patents

263.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.6
[M+Na]+ 286.10497 165.2
[M-H]- 262.10847 164.4
[M+NH4]+ 281.14957 176.4
[M+K]+ 302.07891 165.4
[M+H-H2O]+ 246.11301 152.6
[M+HCOO]- 308.11395 182.6
[M+CH3COO]- 322.12960 202.1
[M+Na-2H]- 284.09042 160.5
[M]+ 263.11520 163.8
[M]- 263.11630 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe