CID 108930

N2-(1-oxotetradecyl)-l-arginine

Structural Information

Molecular Formula
C20H40N4O3
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C20H40N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27)14-13-16-23-20(21)22/h17H,2-16H2,1H3,(H,24,25)(H,26,27)(H4,21,22,23)/t17-/m0/s1
InChIKey
ANKFOZDLPDQNEO-KRWDZBQOSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-(tetradecanoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

384.31003 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.317306 202.1
[M+Na]+ 407.299248 199.9
[M-H]- 383.302754 198.8
[M+NH4]+ 402.343853 215.1
[M+K]+ 423.273188 197.8
[M+H-H2O]+ 367.307290 193.0
[M+HCOO]- 429.308231 214.2
[M+CH3COO]- 443.323881 233.9
[M+Na-2H]- 405.284696 196.1
[M]+ 384.30948142 202.6
[M]- 384.31057858 202.6
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

patents stripe