CID 10570451

N,n',n''-tri-boc-guanidine

Structural Information

Molecular Formula
C16H29N3O6
SMILES
CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H29N3O6/c1-14(2,3)23-11(20)17-10(18-12(21)24-15(4,5)6)19-13(22)25-16(7,8)9/h1-9H3,(H2,17,18,19,20,21,22)
InChIKey
XZGNHTJSFCBWHG-UHFFFAOYSA-N
Compound name
tert-butyl N-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

359.20563 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21291 182.9
[M+Na]+ 382.19485 206.7
[M-H]- 358.19835 205.9
[M+NH4]+ 377.23945 204.9
[M+K]+ 398.16879 188.8
[M+H-H2O]+ 342.20289 177.4
[M+HCOO]- 404.20383 203.2
[M+CH3COO]- 418.21948 220.1
[M+Na-2H]- 380.18030 185.9
[M]+ 359.20508 193.1
[M]- 359.20618 193.1
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