CID 76317

2978-11-2

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CC(C)NC(=NC(C)C)OCC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H21N3O3/c1-10(2)15-14(16-11(3)4)20-9-12-5-7-13(8-6-12)17(18)19/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKey
FYDMCLCYYCIDMZ-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methyl N,N'-di(propan-2-yl)carbamimidate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

279.1583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16558 165.3
[M+Na]+ 302.14752 174.7
[M+NH4]+ 297.19212 171.5
[M+K]+ 318.12146 172.5
[M-H]- 278.15102 168.5
[M+Na-2H]- 300.13297 169.6
[M]+ 279.15775 167.1
[M]- 279.15885 167.1
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