CID 44147258

Einecs 305-332-2

Structural Information

Molecular Formula
C24H31N4O3
SMILES
CCOC(=O)N(CC1=CC=CC=C1)C2=C(C=CC(=C2OC)N(C)C3CCCCC3)[N+]#N
InChI
InChI=1S/C24H31N4O3/c1-4-31-24(29)28(17-18-11-7-5-8-12-18)22-20(26-25)15-16-21(23(22)30-3)27(2)19-13-9-6-10-14-19/h5,7-8,11-12,15-16,19H,4,6,9-10,13-14,17H2,1-3H3/q+1
InChIKey
AVMNLMQHWYPXPW-UHFFFAOYSA-N
Compound name
2-[benzyl(ethoxycarbonyl)amino]-4-[cyclohexyl(methyl)amino]-3-methoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.23962 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.24690 209.8
[M+Na]+ 446.22884 213.1
[M-H]- 422.23234 218.9
[M+NH4]+ 441.27344 217.8
[M+K]+ 462.20278 204.7
[M+H-H2O]+ 406.23688 194.3
[M+HCOO]- 468.23782 228.1
[M+CH3COO]- 482.25347 241.8
[M+Na-2H]- 444.21429 210.1
[M]+ 423.23907 204.1
[M]- 423.24017 204.1
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.