CID 23188887

945828-50-2

Structural Information

Molecular Formula
C19H25N3O2
SMILES
CCOC(=O)NC1=C(C=C(C=C1)NCC2=C(C=C(C=C2C)C)C)N
InChI
InChI=1S/C19H25N3O2/c1-5-24-19(23)22-18-7-6-15(10-17(18)20)21-11-16-13(3)8-12(2)9-14(16)4/h6-10,21H,5,11,20H2,1-4H3,(H,22,23)
InChIKey
SCOOTUMXCXKEAD-UHFFFAOYSA-N
Compound name
ethyl N-[2-amino-4-[(2,4,6-trimethylphenyl)methylamino]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

75
Patents

327.19467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.201946 181.5
[M+Na]+ 350.183888 187.9
[M-H]- 326.187394 188.2
[M+NH4]+ 345.228493 195.1
[M+K]+ 366.157828 183.9
[M+H-H2O]+ 310.191930 172.8
[M+HCOO]- 372.192871 206.1
[M+CH3COO]- 386.208521 220.6
[M+Na-2H]- 348.169336 182.0
[M]+ 327.19412142 182.5
[M]- 327.19521858 182.5
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