CID 382189

Nsc669648

Structural Information

Molecular Formula
C18H26N4O6
SMILES
CCNC(=O)CNC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H26N4O6/c1-5-19-15(23)11-20-16(24)14(21-17(25)28-18(2,3)4)10-12-6-8-13(9-7-12)22(26)27/h6-9,14H,5,10-11H2,1-4H3,(H,19,23)(H,20,24)(H,21,25)
InChIKey
XUNVBHHUSDAFAN-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18524 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19252 190.1
[M+Na]+ 417.17446 190.3
[M-H]- 393.17796 192.6
[M+NH4]+ 412.21906 212.5
[M+K]+ 433.14840 186.3
[M+H-H2O]+ 377.18250 186.4
[M+HCOO]- 439.18344 213.2
[M+CH3COO]- 453.19909 221.0
[M+Na-2H]- 415.15991 192.8
[M]+ 394.18469 189.8
[M]- 394.18579 189.8
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.