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

15
Patents

332.14847 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15575 178.6
[M+Na]+ 355.13769 183.4
[M-H]- 331.14119 182.8
[M+NH4]+ 350.18229 190.3
[M+K]+ 371.11163 182.1
[M+H-H2O]+ 315.14573 170.1
[M+HCOO]- 377.14667 200.7
[M+CH3COO]- 391.16232 221.3
[M+Na-2H]- 353.12314 180.9
[M]+ 332.14792 178.3
[M]- 332.14902 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