CID 2740595

Ns00015911

Structural Information

Molecular Formula
C19H28N4O4
SMILES
CC1=CC(=CC(=C1)C(=NOC(=O)C(C)(C)C)N)C(=NOC(=O)C(C)(C)C)N
InChI
InChI=1S/C19H28N4O4/c1-11-8-12(14(20)22-26-16(24)18(2,3)4)10-13(9-11)15(21)23-27-17(25)19(5,6)7/h8-10H,1-7H3,(H2,20,22)(H2,21,23)
InChIKey
OBPRSMASZKCBNO-UHFFFAOYSA-N
Compound name
[[amino-[3-[N'-(2,2-dimethylpropanoyloxy)carbamimidoyl]-5-methylphenyl]methylidene]amino] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.21106 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.218336 190.9
[M+Na]+ 399.200278 194.1
[M-H]- 375.203784 196.0
[M+NH4]+ 394.244883 202.7
[M+K]+ 415.174218 194.8
[M+H-H2O]+ 359.208320 183.2
[M+HCOO]- 421.209261 212.4
[M+CH3COO]- 435.224911 233.2
[M+Na-2H]- 397.185726 190.4
[M]+ 376.21051142 192.7
[M]- 376.21160858 192.7
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

No patent data available for this compound.