CID 155819933

2470438-41-4

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CC(C)(C)OC(=O)NC(C)(C1=CC=CC=C1)C(=N)N
InChI
InChI=1S/C14H21N3O2/c1-13(2,3)19-12(18)17-14(4,11(15)16)10-8-6-5-7-9-10/h5-9H,1-4H3,(H3,15,16)(H,17,18)
InChIKey
NMRAHBWEVSLAFU-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-1-imino-2-phenylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 162.3
[M+Na]+ 286.15262 166.0
[M-H]- 262.15612 165.1
[M+NH4]+ 281.19722 177.7
[M+K]+ 302.12656 164.5
[M+H-H2O]+ 246.16066 155.8
[M+HCOO]- 308.16160 183.4
[M+CH3COO]- 322.17725 203.7
[M+Na-2H]- 284.13807 167.1
[M]+ 263.16285 159.7
[M]- 263.16395 159.7
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.