CID 21118497

68425-98-9

Structural Information

Molecular Formula
C18H32N4O4
SMILES
CC(=NOC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)ON=C(C)C)C)C
InChI
InChI=1S/C18H32N4O4/c1-12(2)21-25-15(23)19-11-18(7)9-14(8-17(5,6)10-18)20-16(24)26-22-13(3)4/h14H,8-11H2,1-7H3,(H,19,23)(H,20,24)
InChIKey
VJFROPFOQQFWTP-UHFFFAOYSA-N
Compound name
(propan-2-ylideneamino) N-[[1,3,3-trimethyl-5-[(propan-2-ylideneamino)oxycarbonylamino]cyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24237 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.24965 185.9
[M+Na]+ 391.23159 187.9
[M-H]- 367.23509 190.8
[M+NH4]+ 386.27619 202.3
[M+K]+ 407.20553 189.6
[M+H-H2O]+ 351.23963 180.2
[M+HCOO]- 413.24057 207.8
[M+CH3COO]- 427.25622 230.9
[M+Na-2H]- 389.21704 186.3
[M]+ 368.24182 187.2
[M]- 368.24292 187.2
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.