CID 86983

Einecs 241-231-9

Structural Information

Molecular Formula
C21H26N3O3
SMILES
CCCCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCCCC)[N+]#N
InChI
InChI=1S/C21H25N3O3/c1-3-5-12-26-19-15-18(24-22)20(27-13-6-4-2)14-17(19)23-21(25)16-10-8-7-9-11-16/h7-11,14-15H,3-6,12-13H2,1-2H3/p+1
InChIKey
JKRUPKVOFQRUIG-UHFFFAOYSA-O
Compound name
4-benzamido-2,5-dibutoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

368.19742 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20470 194.5
[M+Na]+ 391.18664 201.1
[M-H]- 367.19014 200.3
[M+NH4]+ 386.23124 204.9
[M+K]+ 407.16058 191.7
[M+H-H2O]+ 351.19468 180.8
[M+HCOO]- 413.19562 215.1
[M+CH3COO]- 427.21127 226.9
[M+Na-2H]- 389.17209 197.7
[M]+ 368.19687 192.9
[M]- 368.19797 192.9
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

patents stripe