CID 7015848

123314-39-6

Structural Information

Molecular Formula
C16H20N4O4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCNC(=O)N)N
InChI
InChI=1S/C16H20N4O4/c1-9-7-14(21)24-13-8-10(4-5-11(9)13)20-15(22)12(17)3-2-6-19-16(18)23/h4-5,7-8,12H,2-3,6,17H2,1H3,(H,20,22)(H3,18,19,23)/t12-/m0/s1
InChIKey
WHQBHXDILQZJPU-LBPRGKRZSA-N
Compound name
(2S)-2-amino-5-(carbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

332.14847 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.155746 178.6
[M+Na]+ 355.137688 183.4
[M-H]- 331.141194 182.8
[M+NH4]+ 350.182293 190.3
[M+K]+ 371.111628 182.1
[M+H-H2O]+ 315.145730 170.1
[M+HCOO]- 377.146671 200.7
[M+CH3COO]- 391.162321 221.3
[M+Na-2H]- 353.123136 180.9
[M]+ 332.14792142 178.3
[M]- 332.14901858 178.3
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

patents stripe