CID 259327

Leu-leu-leu-oh

Structural Information

Molecular Formula
C18H35N3O4
SMILES
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N
InChI
InChI=1S/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey
DNDWZFHLZVYOGF-UHFFFAOYSA-N
Compound name
2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

219
Patents

357.26276 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.27004 195.6
[M+Na]+ 380.25198 193.8
[M-H]- 356.25548 192.3
[M+NH4]+ 375.29658 204.6
[M+K]+ 396.22592 195.1
[M+H-H2O]+ 340.26002 188.4
[M+HCOO]- 402.26096 186.2
[M+CH3COO]- 416.27661 227.8
[M+Na-2H]- 378.23743 184.6
[M]+ 357.26221 193.6
[M]- 357.26331 193.6
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