CID 9570567

Brn 1125805

Structural Information

Molecular Formula
C14H21N3O2
SMILES
C/C(=N\OCCN1CCOCC1)/C2=CC=C(C=C2)N
InChI
InChI=1S/C14H21N3O2/c1-12(13-2-4-14(15)5-3-13)16-19-11-8-17-6-9-18-10-7-17/h2-5H,6-11,15H2,1H3/b16-12+
InChIKey
XXGCRZMFOHSTLV-FOWTUZBSSA-N
Compound name
4-[(E)-C-methyl-N-(2-morpholin-4-ylethoxy)carbonimidoyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 163.0
[M+Na]+ 286.15262 166.1
[M-H]- 262.15612 168.5
[M+NH4]+ 281.19722 176.1
[M+K]+ 302.12656 165.0
[M+H-H2O]+ 246.16066 153.4
[M+HCOO]- 308.16160 183.3
[M+CH3COO]- 322.17725 202.2
[M+Na-2H]- 284.13807 167.1
[M]+ 263.16285 160.1
[M]- 263.16395 160.1
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.